SCHEMBL4401577

SCHEMBL4401577

O=Cc1ccc2cc3c(cc2c1)C1C=CC3C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.41
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A3 P47895 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4401558 0.83 ALDH1A1 (0.38) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL4448546 0.79 CYP2A6 (0.36) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL10072582 0.77 CYP2A6 (0.37) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL30972495 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL29617405 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL19182196 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL9883838 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL29617404 0.76 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL4401579 0.76 CYP2A6 (0.36) CYP2A6ALDH1A1KDM4ERAB9APTGS2
SCHEMBL977774 0.76 CYP2A6 (0.54) CYP2A6ALDH1A1KDM4ERAB9APTGS2

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 6 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-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
EP-2447775-B1 Resist underlayer film composition and patterning process using the same SHINETSU CHEMICAL CO (JP) 2013-05-29 EP 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
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
EP-2447775-A1 Resist underlayer film composition and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-02 EP disclosed