SCHEMBL7799666

SCHEMBL7799666

CCCCCCC(C)OC(=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 2/20 0.51
MGLL Q99685 1/20 0.47
FAAH O00519 5/20 0.46
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.43
PNLIP P16233 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ELANE P08246 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6865273 1.00 ALDH1A1 (0.53) ALDH1A1TSHRMGLLFAAHNPC1
SCHEMBL9156662 1.00 ALDH1A1 (0.53) ALDH1A1TSHRMGLLFAAHNPC1
SCHEMBL6871505 0.96 ALDH1A1 (0.50) ALDH1A1TSHRMGLLFAAHNPC1
SCHEMBL9296056 0.96 ALDH1A1 (0.50) ALDH1A1TSHRMGLLFAAHNPC1
SCHEMBL8610838 0.94 TSHR (0.53) ALDH1A1TSHRMGLLNPC1LMNA
SCHEMBL9154263 0.89 TSHR (0.49) ALDH1A1TSHRLMNASMN1; SMN2ELANE
SCHEMBL1704751 0.89 ALDH1A1 (0.64) ALDH1A1TSHRFAAHNPC1PNLIP
SCHEMBL6872017 0.88 ALDH1A1 (0.52) ALDH1A1TSHRMGLLNPC1LMNA
SCHEMBL6872611 0.88 ALDH1A1 (0.52) ALDH1A1TSHRMGLLNPC1LMNA
SCHEMBL6242361 0.88 ALDH1A1 (0.52) ALDH1A1TSHRMGLLFAAHNPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087570-A None JP disclosed
EP-2484658-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-12-06 EP disclosed
EP-0829469-B1 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-12-05 EP disclosed
EP-0718274-B1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2000-02-09 EP disclosed
US-6018070-A WHEN INCORPORATED AS A COMPONENT FOR AN ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION THE NOVEL TWO-RING-CONTAINING COMPOUND INCREASES THE RESPONSE SPEED OF THE COMPOSITION IN A BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICALS COMPANY, INC. (JP) 2000-01-25 US disclosed
US-5951914-A Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-09-14 US disclosed
US-5756816-A DEPROTECTING AN ESTER USING A NON-SUBSTITUTE ALKYLAMINE AS A PROTECTION-REMOVAL AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-26 US disclosed
JP-H1087570-A RACEMIC COMPOUND, AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME COMPOUND MITSUBISHI GAS CHEM CO INC 1998-04-07 JP disclosed
EP-0829469-A2 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-18 EP disclosed
EP-0792868-A1 Process for the production of phenol derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-09-03 EP disclosed
US-5660762-A HIGH DISPLAY QUALITY IN BROAD TEMPERATURE RANGE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-08-26 US disclosed
EP-0718274-A1 Two-rings-containing phenyl ester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-06-26 EP disclosed
EP-0258898-B1 LIQUID-CRYSTALLINE POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-04-22 EP disclosed
US-4818807-A Liquid-crystalline polymer IDEMITSU KOSAN CO., LTD. (JP) 1989-04-04 US disclosed
EP-0258898-A2 Liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-03-09 EP disclosed