SCHEMBL28752695

SCHEMBL28752695

Oc1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.61
ALOX5 P09917 2/20 0.46
TRPM4 Q8TD43 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 1/20 0.44
NQO2 P16083 1/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41

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
SCHEMBL27685067 1.00 PTPN22 (0.61) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL9430385 1.00 PTPN22 (0.61) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL29447273 0.98 PTPN22 (0.64) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL25429187 0.98 PTPN22 (0.64) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL82870 0.98 PTPN22 (0.64) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL14152971 0.96 PTPN22 (0.61) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL14152970 0.96 PTPN22 (0.61) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL10583732 0.90 PTPN22 (0.55) PTPN22ALOX5ALDH1A1HSD17B10CYP1A2
Phenol SCHEMBL27621492 0.90 PTPN22 (0.55) PTPN22ALOX5TRPM4ALDH1A1HSD17B10
SCHEMBL14841344 0.88 PTPN22 (0.53) PTPN22ALOX5TRPM4ALDH1A1HSD17B10

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-101108783-B Organic semiconductor element ASAHI KASEI FIBERS CORPERATION 2012-04-04 CN disclosed
CN-101108783-A Organic semiconductor element ASAHI CHEMICAL IND (JP) 2008-01-23 CN disclosed
CN-100334263-C Organic semiconductor element ASAHI CHEMICAL IND (JP) 2007-08-29 CN disclosed
CN-1541288-A Organic semiconductor element ������������ʽ���� 2004-10-27 CN disclosed