SCHEMBL3048060

SCHEMBL3048060

OCc1ccc2cc3cc4ccccc4cc3cc2c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 6/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
HTR2A P28223 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL3043087 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1HTR2A
SCHEMBL3053971 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HTR2A
SCHEMBL30241839 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HTR2A
SCHEMBL1666585 0.82 HSD17B10 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29832744 0.82 HSD17B10 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
Naphthalene SCHEMBL17417169 0.80 HSD17B10 (0.50) ALDH1A1HSD17B10CYP1A2KDM4ECYP2C19
SCHEMBL30423423 0.80 LIPG (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL23199040 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11644647 0.79 HSD17B10 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1HTR2A
SCHEMBL29021078 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338078-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100104977-A1 PHOTORESIST UNDERCOAT-FORMING MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed