SCHEMBL9643532

SCHEMBL9643532

CCOc1c(OCC)c(OC(C)=O)c2ccc(Cl)cc2c1OCc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.58
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TACR2 P21452 1/20 0.40
KCNA2 P16389 1/20 0.39
KCNA4 P22459 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNA1 Q09470 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL9643362 1.00 ABCB11 (0.58) ABCB11LMNAMAPTKMT2ANPSR1
SCHEMBL9643337 0.90 ABCB11 (0.70) ABCB11LMNAMAPTKMT2AMEN1
SCHEMBL9642973 0.83 L3MBTL1 (0.43) ABCB11LMNAMAPTKMT2ANPSR1
SCHEMBL9627670 0.82 ABCB11 (0.59) ABCB11MAPTMAOBL3MBTL1KDM4E
SCHEMBL9627563 0.82 ABCB11 (0.63) ABCB11MAPTMAOBL3MBTL1KDM4E
SCHEMBL9643229 0.82 ABCB11 (0.59) ABCB11MAPTKMT2AMEN1MAOB
SCHEMBL9642519 0.82 ABCB11 (0.59) ABCB11MAPTKMT2AMEN1MAOB
SCHEMBL9641671 0.81 ABCB11 (0.59) ABCB11MAPTMAOBKDM4E
SCHEMBL9643471 0.81 ABCB11 (0.59) ABCB11MAPTMAOBKDM4E
SCHEMBL9643182 0.80 ABCB11 (0.54) ABCB11LMNAMAPTMAOAMAOB

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