SCHEMBL8565168

SCHEMBL8565168

CCCCCCCC=Cc1cnc(-c2ccc(CCCCCC(C)O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RARB P10826 6/20 0.46
ASAH2 Q9NR71 1/20 0.44
TNNC1 P63316 1/20 0.43
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
NPC1 O15118 3/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
SPHK2 Q9NRA0 2/20 0.39

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
SCHEMBL8669761 1.00 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8668785 0.92 RARB (0.51) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8571151 0.92 RARB (0.51) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8668136 0.89 RAB9A (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8571876 0.89 RAB9A (0.52) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8046950 0.89 TNNC1 (0.41) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8046946 0.89 TNNC1 (0.41) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8669273 0.81 RARB (0.48) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8566239 0.81 RARB (0.48) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8045876 0.81 RAB9A (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E

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