SCHEMBL9642172

SCHEMBL9642172

COc1c(OC)c(OC(=O)c2ccccc2)c2cc(Cl)ccc2c1OCc1cc(C)cc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PLA2G2A P14555 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9642811 0.91 ABCB11 (0.54) ABCB11MRGPRX4LMNAHPGDMAPT
SCHEMBL9643565 0.85 ABCB11 (0.67) ABCB11LMNAHPGDMAPTPOLB
SCHEMBL9641822 0.82 ABCB11 (0.46) ABCB11MRGPRX4MAPTTDP1
SCHEMBL9642865 0.79 ABCB11 (0.57) ABCB11LMNAMAPTPOLBGAA
SCHEMBL9642080 0.79 ABCB11 (0.57) ABCB11LMNAMAPTPOLBGAA
SCHEMBL9644155 0.78 ABCB11 (0.38) ABCB11TP53LMNAHPGDMAPT
SCHEMBL9642978 0.78 ABCB11 (0.53) ABCB11LMNAHPGDMAPT
SCHEMBL9643065 0.78 ABCB11 (0.53) ABCB11LMNAHPGDMAPT
SCHEMBL9641751 0.76 HPGD (0.46) TP53MRGPRX4HPGDMAPTMAOA
SCHEMBL9643216 0.76 MAPT (0.39) ABCB11MRGPRX4LMNAHPGDMAPT

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