SCHEMBL4403409

SCHEMBL4403409

COc1ccc2c3c(ccc2c1)C=CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DPP4 P27487 2/20 0.38
RAD52 P43351 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL4403406 0.89 MEN1 (0.42) CYP1A2CYP2A6ALDH1A1HSD17B10MEN1
SCHEMBL4402594 0.84 HSP90AA1 (0.44) CYP1A2CYP2A6HSP90AA1ALDH1A1TP53
SCHEMBL4402590 0.79 CYP1A2 (0.44) CYP1A2CYP2A6HSP90AA1ALDH1A1TP53
SCHEMBL21645975 0.76 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MAPK1KDM4E
SCHEMBL996026 0.76 CA12 (0.41) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL2962293 0.75 ERN1 (0.37) CYP2A6ALDH1A1MEN1KMT2ADPP4
SCHEMBL4405517 0.74 CYP1A2 (0.43) CYP1A2CYP2A6HSP90AA1ALDH1A1TP53
SCHEMBL27902298 0.74 CYP2A6 (0.65) CYP1A2CYP2A6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4402562 0.73 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HSD17B10MEN1
SCHEMBL9938547 0.73 KDM4E (0.40) ALDH1A1TP53HPGDSMN1; SMN2HSD17B10

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