SCHEMBL8569401

SCHEMBL8569401

CCCCCCCCCCOc1cnc(-c2ccc(CCCC(C)F)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
USP2 O75604 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
PLA2G4A P47712 1/20 0.46
NPC1 O15118 3/20 0.46
RARB P10826 5/20 0.44
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 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
SCHEMBL8568388 0.96 RAB9A (0.55) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7511546 0.90 RAB9A (0.52) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7865001 0.88 RAB9A (0.53) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9636046 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10469637 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9637685 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10469584 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9636358 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9636385 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9636077 0.87 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT

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-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed