SCHEMBL9713618

SCHEMBL9713618

CCCCCOc1cc(OC(C)=O)c2c(Cl)cccc2c1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CYP2C9 P11712 1/20 0.40
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 6/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 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
SCHEMBL9713918 0.99 CNR1 (0.41) CNR1CNR2CYP2C9ATMPPARG
SCHEMBL10707692 0.87 THRA (0.39) CNR1CNR2CYP2C9PPARGPPARA
SCHEMBL9714040 0.86 HTT (0.37) HTTCYP3A4KDM4EALOX12TDP1
SCHEMBL10705545 0.85 PPARG (0.43) CNR1CNR2PPARGPPARATHRA
SCHEMBL9714046 0.84 KDM4E (0.34) ATMPPARGPPARAHTTPTGS2
SCHEMBL9642345 0.83 CNR1 (0.38) CNR1CNR2CYP2C9PPARGPPARA
SCHEMBL9627747 0.83 HTT (0.57) CNR1CNR2CYP2C9HTTPTGS2
SCHEMBL9627400 0.82 HTT (0.56) CNR1CNR2CYP2C9PPARGPPARA
SCHEMBL9628087 0.82 HTT (0.56) CNR1CNR2CYP2C9PPARGPPARA
SCHEMBL9629327 0.81 HTT (0.44) HTTCYP3A4KDM4EALOX12TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed