SCHEMBL9643229

SCHEMBL9643229

CCOc1c(OCC)c(OC(C)=O)c2ccc(Cl)cc2c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.59
GAA P10253 3/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNMA1 Q12791 1/20 0.35
MGAM O43451 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL9642519 0.95 ABCB11 (0.59) ABCB11GAATP53MAPTHTT
SCHEMBL9643337 0.92 ABCB11 (0.70) ABCB11GAATP53MAPTHTT
SCHEMBL9642048 0.90 ABCB11 (0.57) ABCB11GAATP53MAPTHTT
SCHEMBL9641717 0.88 ABCB11 (0.56) ABCB11GAATP53MAPTHTT
SCHEMBL9643286 0.88 ABCB11 (0.45) ABCB11GAATP53MAPTKDM4E
SCHEMBL9641797 0.86 ABCB11 (0.56) ABCB11GAATP53MAPTHTT
SCHEMBL9642813 0.86 ABCB11 (0.43) ABCB11GAATP53MAPTALDH1A1
SCHEMBL9642151 0.86 ABCB11 (0.43) ABCB11GAAKDM4EHSD17B10ALDH1A1
SCHEMBL9642643 0.84 ABCB11 (0.57) ABCB11GAATP53MAPTHTT
SCHEMBL9657735 0.84 TSHR (0.43) ABCB11GAATP53MAPTHTT

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