SCHEMBL9449155

SCHEMBL9449155

CCOc1c(OCC)c(OC(=O)CC)c2cc(Cl)ccc2c1OC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
HPGD P15428 4/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.38
ALOX15 P16050 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9643286 0.92 ABCB11 (0.45) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9642645 0.92 ABCB11 (0.45) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9643429 0.90 ABCB11 (0.44) ABCB11ALOX15ALDH1A1GLAMAPK1
SCHEMBL9643262 0.90 ABCB11 (0.44) ABCB11ALOX15ALDH1A1GLAMAPK1
SCHEMBL9642891 0.89 ABCB11 (0.50) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9643337 0.87 ABCB11 (0.70) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9644133 0.87 ABCB11 (0.70) ABCB11HPGDCYP1A2CYP2C9HIF1A
SCHEMBL9642288 0.85 ABCB11 (0.68) ABCB11HPGDCYP1A2CYP2C9HIF1A
SCHEMBL9642820 0.85 ABCB11 (0.68) ABCB11HPGDCYP1A2CYP2C9HIF1A
SCHEMBL24893025 0.85 ABCB11 (0.51) ABCB11HPGDCYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242946-A Treating herpes Viral infections BIO-MEGA, INC. (CA) 1993-09-07 US claimed
US-5242946-A Treating herpes Viral infections BIO-MEGA, INC. (CA) 1993-09-07 US disclosed
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
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed