SCHEMBL8048052

SCHEMBL8048052

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNA3 P22001 2/20 0.33
ALOX5AP P20292 9/20 0.32
FEN1 P39748 9/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL8048055 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8047849 0.95 KDM4E (0.34) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8047852 0.95 KDM4E (0.34) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8048632 0.94 NPC1 (0.34) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8048629 0.94 NPC1 (0.34) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8051049 0.93 CYP11B1 (0.35) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL8051045 0.93 CYP11B1 (0.35) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL8047603 0.92 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8047598 0.92 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8050852 0.90 FEN1 (0.33) SMN1; SMN2NPC1RAB9ATP53PKM

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