SCHEMBL4448971

SCHEMBL4448971

O=Cc1ccc2c3c(ccc2c1)C=CCC3

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.36
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGS2 P35354 1/20 0.30
RAB9A P51151 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
SCHEMBL4745707 0.89 CYP2A6 (0.37) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4446584 0.84 CYP2A6 (0.41) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL13523463 0.76 SIRT2 (0.32)
SCHEMBL27781003 0.74
SCHEMBL4403393 0.74 CYP2A6 (0.37) CYP2A6ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4402558 0.74 CYP2A6 (0.37) CYP2A6ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4405513 0.74 ALDH1A1 (0.39) CYP2A6ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL4436325 0.73 CYP2A6 (0.42) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4402594 0.73 HSP90AA1 (0.44) CYP2A6ALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL9127399 0.72 CYP2A6 (0.48) CYP2A6KIF11ALDH1A1HSD17B10TDP1

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 4 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
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
EP-2447775-A1 Resist underlayer film composition and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-02 EP disclosed