SCHEMBL9558339

SCHEMBL9558339

CC(C)(CCCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.43
MAPK14 Q16539 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CETP P11597 10/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2B Q13224 1/20 0.37
DAO P14920 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL9557874 0.93 FDFT1 (0.43) FDFT1MAPK14CETPNPC1POLB
SCHEMBL9557901 0.93 MAPK14 (0.48) FDFT1MAPK14CHRM2CHRM1CHRM3
SCHEMBL9558443 0.93 FDFT1 (0.48) FDFT1CETPNPC1POLBCYP2C9
SCHEMBL10546131 0.91 FDFT1 (0.42) FDFT1MAPK14CETPNPC1POLB
SCHEMBL9557996 0.91 FDFT1 (0.42) FDFT1MAPK14CETPNPC1POLB
SCHEMBL10547992 0.90 FDFT1 (0.51) FDFT1CETPNPC1POLBCYP2C9
SCHEMBL10547084 0.89 FDFT1 (0.45) FDFT1NPC1POLBCYP2C9RAB9A
SCHEMBL10551740 0.88 FDFT1 (0.45) FDFT1CHRM2CHRM1CHRM3NPC1
SCHEMBL9558486 0.88 FDFT1 (0.45) FDFT1CETPNPC1POLBCYP2C9
SCHEMBL10549878 0.88 FDFT1 (0.47) FDFT1NPC1POLBCYP2C9RAB9A

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
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed