SCHEMBL6865178

SCHEMBL6865178

Nc1ccc2cc3ccc(C(=O)O)cc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 4/20 0.54
CYP3A4 P08684 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
ALOX15 P16050 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
HIF1A Q16665 2/20 0.54
HBB P68871 1/20 0.54
KDM4E B2RXH2 5/20 0.52
SMYD3 Q9H7B4 1/20 0.50
LCK P06239 1/20 0.46
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
RECQL P46063 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL9121653 1.00 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL100233 0.96 KDM4E (0.55) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL29398350 0.96 KDM4E (0.55) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL437116 0.94 KDM4E (0.48) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL28624473 0.90 KDM4E (0.57) ALDH1A1HSD17B10TDP1KDM4ESMYD3
SCHEMBL1551731 0.87 KDM4E (0.63) ALDH1A1HSD17B10KDM4ELCKMAPT
SCHEMBL1552467 0.87 KDM4E (0.63) ALDH1A1HSD17B10KDM4ELCKMAPT
SCHEMBL1951984 0.87 KDM4E (0.63) ALDH1A1HSD17B10KDM4ELCKMAPT
SCHEMBL29451113 0.87 KDM4E (0.63) ALDH1A1HSD17B10KDM4ELCKMAPT
SCHEMBL258253 0.87 KDM4E (0.63) ALDH1A1HSD17B10KDM4ELCKMAPT

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
CN-1279395-C Liquid crystal aligning agent, liquid crystal cell using the same, and method for aligning liquid crystal NISSAN CHEMICAL IND LTD (JP) 2006-10-11 CN disclosed
US-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
CN-1319198-A Liquid crystal aligning agent, liquid crystal cell using the same, and method for aligning liquid crystal NISSAN CHEMICAL IND LTD (JP) 2001-10-24 CN disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed