SCHEMBL8036985

SCHEMBL8036985

C=CCc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cn2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 4/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL8036984 1.00 CNR2 (0.32) CNR2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8036635 0.97 KDM4E (0.32) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8036639 0.97 KDM4E (0.32) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8054236 0.96 NPC1 (0.31) CNR2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8054232 0.96 NPC1 (0.31) CNR2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8049108 0.94 KDM4E (0.33) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8049104 0.94 KDM4E (0.33) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8054207 0.90 NPC1 (0.30) NPC1RAB9ACASP3SENP7
SCHEMBL8054203 0.90 NPC1 (0.30) NPC1RAB9ACASP3SENP7
SCHEMBL8048047 0.89 CNR2 (0.32) CNR2NPC1RAB9AKDM4E

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed