SCHEMBL9643254

SCHEMBL9643254

CCc1ccc(CCOc2c(OC)c(OC)c(OC(=O)Cc3ccc(CC)cc3)c3ccc(Cl)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.35
PDE4D Q08499 3/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 3/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL9643189 0.91 ABCB11 (0.60) ABCB11KMT2APOLBALOX15
SCHEMBL9642126 0.88 ABCB11 (0.52) ABCB11KMT2APOLBALOX15MAOB
SCHEMBL9643183 0.84 ABCB11 (0.52) ABCB11KMT2APOLBALOX15
SCHEMBL9643192 0.84 ABCB11 (0.52) ABCB11KMT2APOLBALOX15
SCHEMBL9641681 0.84 ABCB11 (0.52) ABCB11KMT2APOLBALOX15MAOB
SCHEMBL9643246 0.82 ABCB11 (0.50) ABCB11CNR2CNR1KMT2APOLB
SCHEMBL9643263 0.81 ABCB11 (0.45) ABCB11PDE4DALOX15PTGS2
SCHEMBL9641929 0.81 ABCB11 (0.47) ABCB11CNR2KMT2APOLB
SCHEMBL9643164 0.81 ABCB11 (0.62) ABCB11ALOX15
SCHEMBL9642666 0.79 ABCB11 (0.44) ABCB11CNR1KMT2A

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