SCHEMBL9643296

SCHEMBL9643296

COc1ccc(Oc2c(Oc3ccc(OC)cc3)c(OC(=O)Cc3ccccc3)c3ccc(Cl)cc3c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ABCB11 O95342 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KLK7 P49862 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
UCHL1 P09936 1/20 0.40
USP5 P45974 1/20 0.40
USP4 Q13107 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
DYRK1A Q13627 1/20 0.39
NPBWR1 P48145 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9643781 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1ATMABCB11
SCHEMBL9641852 0.94 ABCB11 (0.48) ALDH1A1L3MBTL1TDP1ATMABCB11
SCHEMBL9641776 0.88 L3MBTL1 (0.43) ALDH1A1L3MBTL1TDP1ATMABCB11
SCHEMBL9642749 0.87 ABCB11 (0.53) ALDH1A1L3MBTL1ABCB11SMN1; SMN2UCHL1
SCHEMBL9641714 0.86 ABCB11 (0.41) ALDH1A1L3MBTL1TDP1ATMABCB11
SCHEMBL9641750 0.84 ABCB11 (0.40) ALDH1A1L3MBTL1TDP1ATMABCB11
SCHEMBL9643350 0.83 UCHL1 (0.41) ALDH1A1L3MBTL1ABCB11SMN1; SMN2UCHL1
SCHEMBL9641799 0.82 ABCB11 (0.41) ALDH1A1L3MBTL1ABCB11MEN1KMT2A
SCHEMBL9642952 0.82 ABCB11 (0.53) ALDH1A1L3MBTL1ABCB11SMN1; SMN2UCHL1
SCHEMBL9643164 0.82 ABCB11 (0.62) ALDH1A1L3MBTL1TDP1ATMABCB11

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