SCHEMBL9419397

SCHEMBL9419397

[Cr].c1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
BCL2L1 Q07817 1/20 0.58
CYP2A6 P11509 1/20 0.58
MAPK1 P28482 1/20 0.58
BACE1 P56817 1/20 0.53
DPP4 P27487 1/20 0.50
PTGS2 P35354 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GPR55 Q9Y2T6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCAT2 O15382 1/20 0.46
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 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
SCHEMBL2361430 0.96 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Benzene SCHEMBL28035419 0.96 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL21447 0.96 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Water SCHEMBL10589969 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Ammonia Solution, Strong SCHEMBL4839393 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL13387362 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL11578595 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Water SCHEMBL9138909 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Biphenyl SCHEMBL1994657 0.92 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL608537 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293595-B1 Ionomer resin and preparation of same IDEMITSU KOSAN CO (JP) 1994-01-05 EP disclosed
US-5270420-A Ethylene-acrylic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-14 US disclosed
EP-0356692-B1 Process for production of stretched moldings IDEMITSU KOSAN CO (JP) 1993-12-01 EP disclosed
US-4956418-A Ethylene-unsaturated carboxylic acid copolymers, mechanical strength, oxygen gas barriers and heat resistance IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-09-11 US disclosed
EP-0356692-A2 Process for production of stretched moldings IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-03-07 EP disclosed
EP-0293595-A2 Ionomer resin and preparation of same IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-12-07 EP disclosed
EP-0193146-A2 Process for production of ethylene-based polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-09-03 EP disclosed