SCHEMBL4405578

SCHEMBL4405578

COc1ccc2ccc3c(c2c1)CC=CC3

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 10/20 0.39
MTNR1B P49286 8/20 0.39
HTR2C P28335 6/20 0.39
DPP4 P27487 2/20 0.39
HTR2A P28223 2/20 0.38

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
SCHEMBL4402590 0.88 CYP1A2 (0.44) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL4402539 0.78 CYP1A2 (0.40) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL4403406 0.78 MEN1 (0.42) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL21558391 0.76 ACHE (0.49) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL31678927 0.75 DRD2 (0.48) MEN1KMT2ACYP1A2CYP2A6KDM4E
SCHEMBL9113258 0.75 DRD2 (0.48) MEN1KMT2ACYP1A2CYP2A6KDM4E
SCHEMBL19382614 0.74 CYP1A2 (0.61) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL4789564 0.71 CYP1A2 (0.56) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL4405517 0.70 CYP1A2 (0.43) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL4402562 0.69 CYP1A2 (0.38) MEN1KMT2APOLBMAPK1CYP1A2

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