SCHEMBL7552801

SCHEMBL7552801

C=CCc1ccc(-c2cnc(-c3ccc(CCCCCC(C)F)cc3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
RARB P10826 5/20 0.36
NPC1 O15118 4/20 0.32
TP53 P04637 2/20 0.32
STAT3 P40763 1/20 0.32
ATM Q13315 1/20 0.32
RARA P10276 1/20 0.32
MTOR P42345 1/20 0.32
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 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
SCHEMBL7559619 1.00 MEN1 (0.43) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7560939 0.94 RARB (0.41) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7554359 0.94 RAB9A (0.44) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7557298 0.93 RAB9A (0.45) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7556286 0.93 RARB (0.42) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL8603393 0.89 TSHR (0.38) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7560812 0.89 TSHR (0.38) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7552062 0.88 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7555991 0.88 MAPT (0.34) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7559531 0.87 RAB9A (0.43) MEN1KMT2ARAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708165-B1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2002-01-09 EP disclosed
US-6246452-B1 FERROELECTRIC CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE HAVING IMPROVED RESPONSE SPEED WHICH CAN BE USED AS AN OPTICAL SHUTTER OR DISPLAY DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
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-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP 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