SCHEMBL4405540

SCHEMBL4405540

COc1ccc2c3c(ccc2c1)C1C(C3)C2CC1C1C3C=CC(C3)C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MTNR1A P48039 2/20 0.32
CYP2A6 P11509 1/20 0.32
MTNR1B P49286 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL4401575 0.92 MTNR1A (0.37) DPP4GAAMTNR1AMTNR1B
SCHEMBL4408096 0.85 DPP4 (0.39) DPP4CYP1A2ALDH1A1TP53HPGD
SCHEMBL4405533 0.81 HTR2A (0.42) CYP1A2ALDH1A1GAAHTR2AHRH1
SCHEMBL4401569 0.80 CHRNB2 (0.42) ALDH1A1GAAHTR2ACHRNB2CHRNB4
SCHEMBL4401574 0.78 CHRNB2 (0.40) ALDH1A1GAAHTR2ACHRNB2CHRNB4
SCHEMBL4408136 0.75 HTR2A (0.38) DPP4CYP1A2ALDH1A1TP53HPGD
SCHEMBL4402557 0.75 MEN1 (0.34) ALDH1A1HPGDGAAHTR2AMTNR1A
SCHEMBL4402553 0.75 MTNR1A (0.39) ALDH1A1GAAMTNR1AMTNR1B
SCHEMBL4402533 0.73 CYP19A1 (0.39) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL4402570 0.72 HTR2A (0.40) DPP4CYP1A2ALDH1A1TP53HPGD

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