SCHEMBL9558335

SCHEMBL9558335

CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
MAPK14 Q16539 2/20 0.44
CETP P11597 5/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
FDFT1 P37268 1/20 0.41
AGXT P21549 1/20 0.41

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
SCHEMBL10859391 0.92 NPC1 (0.49) CETPNPC1POLBCYP2C9RAB9A
SCHEMBL10849854 0.91 TACR1 (0.53) TACR1MAPK14CETPMRGPRX4PPARG
SCHEMBL10532258 0.90 NPC1 (0.44) TACR1CETPNPC1POLBCYP2C9
SCHEMBL10855394 0.90 CETP (0.46) TACR1MAPK14CETPNPC1POLB
SCHEMBL10854916 0.90 NPC1 (0.43) TACR1MAPK14CETPNPC1POLB
SCHEMBL10856771 0.90 NPC1 (0.42) TACR1CETPNPC1POLBCYP2C9
SCHEMBL9558481 0.89 FAAH (0.45) TACR1CETPNPC1POLBCYP2C9
SCHEMBL8675859 0.89 MAPK14 (0.49) TACR1MAPK14CETPNPC1POLB
Halfenprox SCHEMBL29795788 0.89 NPC1 (0.43) TACR1MAPK14CETPNPC1POLB
Halfenprox SCHEMBL62803 0.89 NPC1 (0.43) TACR1MAPK14CETPNPC1POLB

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 6 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
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed