SCHEMBL9643190

SCHEMBL9643190

CCC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(O)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
ELANE P08246 1/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
STK39 Q9UEW8 1/20 0.37
DHODH Q02127 1/20 0.37
THRA P10827 1/20 0.36

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
SCHEMBL9641799 0.95 ABCB11 (0.41) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9642718 0.93 ABCB11 (0.48) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9642035 0.92 ABCB11 (0.40) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9642907 0.88 ABCB11 (0.53) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9643151 0.87 ABCB11 (0.40) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9643961 0.86 ABCB11 (0.57) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9644053 0.84 ABCB11 (0.41) ABCB11KDM4EALDH1A1KMT2AMEN1
SCHEMBL9641843 0.84 ABCB11 (0.41) ABCB11KDM4EALDH1A1KMT2AMEN1
SCHEMBL9643876 0.84 ABCB11 (0.47) ABCB11KDM4EALDH1A1GAAHPGD
SCHEMBL9643781 0.82 ALDH1A1 (0.43) ABCB11ALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed