SCHEMBL7564490

SCHEMBL7564490

O=Cc1ccc(OCCCC(=O)O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 5/20 0.48
PPARG P37231 1/20 0.48
TSHR P16473 3/20 0.48
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDPS P14324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NLRP1 Q9C000 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL2554389 0.95 RAB9A (0.51) RAB9AMAPTMAPK1HPGDPPARG
SCHEMBL20211804 0.94 RAB9A (0.50) RAB9AMAPTMAPK1HPGDPPARG
SCHEMBL2556003 0.94 RAB9A (0.49) RAB9AMAPTMAPK1HPGDPPARG
SCHEMBL31139232 0.84 ALDH1A1 (0.49) RAB9AMAPTMAPK1HPGDCYP2C9
SCHEMBL15565588 0.84 ALDH1A1 (0.49) RAB9AMAPTMAPK1HPGDCYP2C9
SCHEMBL18209464 0.84 TDP1 (0.66) MAPTTSHRALDH1A1PTGDR2CYP2C19
SCHEMBL15332447 0.84 ALDH1A1 (0.48) RAB9AMAPTMAPK1HPGDTSHR
SCHEMBL6313264 0.84 FFAR4 (0.49) RAB9AMAPTHPGDTSHRCYP2C9
SCHEMBL10029448 0.82 TSHR (0.46) RAB9AMAPTHPGDTSHRCYP2C9
SCHEMBL2559267 0.82 FDPS (0.72) RAB9AMAPTHPGDTSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-0689845-B1 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID CO (US) 2002-09-04 EP disclosed
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
EP-0689845-A2 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID COMPANY (US) 1996-01-03 EP disclosed