SCHEMBL4405517

SCHEMBL4405517

COc1ccc2c3c(ccc2c1)CC=C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
HNF4A P41235 1/20 0.37
GSTP1 P09211 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13561909 0.90 CYP1A2 (0.38) CYP1A2CYP2A6HTR2AHRH1HSD17B1
SCHEMBL4402539 0.89 CYP1A2 (0.40) CYP1A2CYP2A6HTR2AMEN1KMT2A
SCHEMBL4402590 0.79 CYP1A2 (0.44) CYP1A2CYP2A6HTR2AHRH1HSD17B1
SCHEMBL4403409 0.74 CYP1A2 (0.43) CYP1A2CYP2A6HSD17B1HSD17B2MEN1
SCHEMBL27902298 0.74 CYP2A6 (0.65) CYP1A2CYP2A6HSD17B1HSD17B2MEN1
SCHEMBL3137389 0.72 CYP2A6 (0.62) CYP1A2CYP2A6HSD17B1HSD17B2MEN1
SCHEMBL12259995 0.72 CYP2A6 (0.62) CYP1A2CYP2A6HSD17B1HSD17B2MEN1
SCHEMBL12277498 0.72 CYP2A6 (0.62) CYP1A2CYP2A6HSD17B1HSD17B2MEN1
SCHEMBL326339 0.72 DRD2 (0.41) CYP1A2CYP2A6
SCHEMBL4443424 0.71 CYP2A6 (0.38) CYP2A6KDM4EALDH1A1HSD17B10

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-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed