SCHEMBL9642018

SCHEMBL9642018

CCCCCOc1c(OCCCCC)c(OC(=O)CCC)c2c(Cl)cccc2c1OC(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.35
THRA P10827 6/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 2/20 0.35
PLA2G2A P14555 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9642599 1.00 THRB (0.35) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9643617 0.96 CNR1 (0.37) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9642619 0.93 THRB (0.38) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9642842 0.93 THRB (0.38) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9643144 0.92 PPARG (0.36) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9643118 0.92 PPARG (0.36) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9642526 0.92 POLM (0.40) THRBTHRACNR1CNR2EPHX2
SCHEMBL9642974 0.88 GSTA1 (0.38) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9641826 0.88 GSTA1 (0.38) THRBTHRACNR1CNR2CYP2C9
SCHEMBL9642345 0.85 CNR1 (0.38) THRBTHRACNR1CNR2CYP2C9

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