SCHEMBL4448973

SCHEMBL4448973

O=Cc1ccc2c3c(ccc2c1)CC=CC3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
KIF11 P52732 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
KCNJ1 P48048 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL4745712 0.88 CYP2A6 (0.43) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL28154311 0.81 CYP2A6 (0.42) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4446584 0.79 CYP2A6 (0.41) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4443424 0.79 CYP2A6 (0.38) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4403308 0.77 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL9127399 0.75 CYP2A6 (0.48) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4402532 0.74 ALDH1A1 (0.41) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL9798242 0.70 CYP2A6 (0.44) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4445409 0.70 CYP2A6 (0.39) CYP2A6KIF11ALDH1A1HSD17B10TDP1
SCHEMBL4448971 0.70 CYP2A6 (0.36) 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