SCHEMBL9558481

SCHEMBL9558481

CC(C)(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
FDFT1 P37268 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CETP P11597 1/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
CNR1 P21554 1/20 0.40

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 0.94 NPC1 (0.49) FAAHNPC1POLBCYP2C9RAB9A
SCHEMBL10532258 0.93 NPC1 (0.44) NPC1POLBCYP2C9RAB9AKDM4E
SCHEMBL10853316 0.90 NPC1 (0.43) NPC1POLBCYP2C9RAB9AKDM4E
SCHEMBL9558585 0.90 FFAR1 (0.47) FAAHNPC1POLBCYP2C9RAB9A
SCHEMBL10855858 0.90 NPC1 (0.43) NPC1POLBCYP2C9RAB9AKDM4E
SCHEMBL7524365 0.90 NPC1 (0.46) NPC1POLBCYP2C9RAB9AKDM4E
Methyl Alcohol SCHEMBL9848800 0.90 NPC1 (0.45) NPC1POLBCYP2C9RAB9AKDM4E
SCHEMBL10857796 0.90 FDFT1 (0.42) FAAHNPC1POLBCYP2C9RAB9A
SCHEMBL9030258 0.89 PPARG (0.45) FAAHNPC1POLBCYP2C9RAB9A
SCHEMBL9558226 0.89 NPC1 (0.45) NPC1POLBCYP2C9RAB9AKDM4E

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