SCHEMBL21461252

SCHEMBL21461252

[c]1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HIF1A Q16665 2/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.35
CYP2A6 P11509 6/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX12 P18054 1/20 0.33
NQO2 P16083 1/20 0.33
CYP1A2 P05177 3/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL29101792 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL25451 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL5049192 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL18529 0.97 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL1413199 0.92
SCHEMBL3241848 0.92
SCHEMBL1044899 0.92
SCHEMBL3241439 0.92
SCHEMBL559813 0.89
SCHEMBL70257 0.89

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
EP-3564330-B1 COATING AGENT AND MEDICAL INSTRUMENT SURFACE-TREATED WITH SAID COATING AGENT TERUMO CORP (JP) 2023-12-27 EP disclosed
US-11136519-B2 Coating agent and medical instrument surface-treated with said coating agent TERUMO KABUSHIKI KAISHA (JP) 2021-10-05 US disclosed
EP-3564330-A1 COATING AGENT AND MEDICAL INSTRUMENT SURFACE-TREATED WITH SAID COATING AGENT Terumo Kabushiki Kaisha (JP) 2019-11-06 EP disclosed
US-20190316055-A1 COATING AGENT AND MEDICAL INSTRUMENT SURFACE-TREATED WITH SAID COATING AGENT TERUMO KABUSHIKI KAISHA (JP) 2019-10-17 US disclosed