SCHEMBL6929072

SCHEMBL6929072

COC(CCCCC(=O)O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
FFAR4 Q5NUL3 2/20 0.48
FFAR1 O14842 2/20 0.48
TSHR P16473 5/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
GSTK1 Q9Y2Q3 2/20 0.47
AKR1B1 P15121 1/20 0.46
ENPEP Q07075 1/20 0.45
PPARG P37231 4/20 0.44
PPARD Q03181 4/20 0.44
PPARA Q07869 4/20 0.44
GPR84 Q9NQS5 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
TLR2 O60603 1/20 0.44
MEN1 O00255 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6831483 0.98 ALDH1A1 (0.54) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL10513905 0.98 ALDH1A1 (0.54) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL30834710 0.98 ALDH1A1 (0.54) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL2068783 0.93 TSHR (0.48) ALDH1A1LMNAFFAR4FFAR1TSHR
Formic Acid SCHEMBL9657633 0.85 TSHR (0.42) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL10343436 0.84 KMT2A (0.53) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL27953391 0.83 GABRP (0.48) ALDH1A1LMNATSHRNFKB1ENPEP
SCHEMBL11509909 0.82 KMT2A (0.37) ALDH1A1FFAR4FFAR1TSHRPMP22
SCHEMBL6386011 0.80 ALDH1A1 (0.48) ALDH1A1LMNAFFAR4FFAR1TSHR
SCHEMBL430695 0.80 TSHR (0.58) ALDH1A1LMNATSHRPPARGMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235792-A4 PREPARATION OF [4S-(4ALPHA,7ALPHA,10ABETA)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO 2,1-B] 1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES BRISTOL MYERS SQUIBB CO (US) 2003-06-25 EP claimed
EP-1121351-A4 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL MYERS SQUIBB CO (US) 2003-05-02 EP claimed
EP-1235792-A1 PREPARATION OF [4S-(4ALPHA,7ALPHA,10ABETA)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO 2,1-B] 1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-04 EP claimed
WO-2002042258-A1 PREPARATION OF [4S-(4α,7α,10Aβ)]-4-AMINO-OCTAHYDRO-5-OXO-7H-PYRIDO[2,1-B][1,3]THIAZEPINE-7-CARBOXYLIC ACID, METHYL ESTER AND SALTS THEREOF VIA NOVEL DISULFIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-30 WO claimed
EP-1121351-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-08 EP claimed
WO-2000003981-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-27 WO claimed
EP-3860670-B1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2025-06-18 EP disclosed
US-11850334-B2 Immobilised biological entities CARMEDA AB (SE) 2023-12-26 US disclosed
US-20210379253-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2021-12-09 US disclosed
EP-3860670-A1 IMMOBILISED BIOLOGICAL ENTITIES Carmeda AB (SE) 2021-08-11 EP disclosed
CN-113164660-A Immobilized biological entities 卡梅达股份公司 2021-07-23 CN disclosed
WO-2020070258-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2020-04-09 WO disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-1121351-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-08 EP disclosed
EP-1000076-A1 HEXADECASACCHARIDE-PROTEIN CONJUGATE VACCINE FOR $i(SHIGELLA DYSENTERIAE) TYPE 1 THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-17 EP disclosed
WO-2000003981-A2 PREPARATION OF (S)-2-AMINO-6,6-DIMETHOXYHEXANOIC ACID METHYL ESTER VIA NOVEL DIOXOLANES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-27 WO disclosed
WO-1999003871-A1 HEXADECASACCHARIDE-PROTEIN CONJUGATE VACCINE FOR SHIGELLA DYSENTERIAE TYPE 1 THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-28 WO disclosed
WO-1995006025-A1 PROCESS FOR THE PREPARATION OF AN ACETAL DSM N.V. (NL) 1995-03-02 WO disclosed
WO-1992010503-A1 PROCESS FOR THE PREPARATION OF 3,5-DIHYDROXY 6-OXO HEXANOIC ACID RHONE-POULENC RORER S.A. (FR) 1992-06-25 WO disclosed
US-4523027-A Purification of carboxylates containing aldehydes, acetals and/or unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed