SCHEMBL4408096

SCHEMBL4408096

COc1ccc2c3c(ccc2c1)C1C2C=CC(C2)C1C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CYP2A6 P11509 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4403306 0.91 MTNR1A (0.40) DPP4GAAMTNR1AMTNR1B
SCHEMBL4405540 0.85 DPP4 (0.37) DPP4GAAALDH1A1CYP1A2TP53
SCHEMBL4402560 0.80 HTR2A (0.45) GAAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4402522 0.78 CHRNB2 (0.46) GAAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4401575 0.77 MTNR1A (0.37) DPP4GAAMTNR1AMTNR1B
SCHEMBL4405529 0.73 MTNR1A (0.45) GAAALDH1A1MTNR1AMTNR1B
SCHEMBL4402570 0.70 HTR2A (0.40) DPP4GAAALDH1A1CYP1A2TP53
SCHEMBL4408136 0.69 HTR2A (0.38) DPP4GAAALDH1A1CYP1A2TP53
SCHEMBL4405533 0.68 HTR2A (0.42) GAAALDH1A1CYP1A2HTR2AHRH1
SCHEMBL4403424 0.67 HTR2A (0.44) DPP4ALDH1A1CYP1A2TP53HPGD

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