SCHEMBL4408136

SCHEMBL4408136

COc1ccc2c3c(ccc2c1)C1CC3C2C3CC(C4C5C=CC(C5)C34)C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HRH1 P35367 1/20 0.38
MTNR1A P48039 3/20 0.34
CYP1A2 P05177 2/20 0.34
MTNR1B P49286 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 2/20 0.33
RAD52 P43351 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 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
SCHEMBL4402570 0.93 HTR2A (0.40) HTR2AHRH1MTNR1ACYP1A2MTNR1B
SCHEMBL4405582 0.92 MTNR1A (0.39) HTR2AMTNR1AMTNR1BDPP4GAA
SCHEMBL4405547 0.84 MTNR1A (0.42) HTR2AMTNR1AMTNR1BDPP4GAA
SCHEMBL4448548 0.79
SCHEMBL4405533 0.75 HTR2A (0.42) HTR2AHRH1MTNR1ACYP1A2MTNR1B
SCHEMBL4405540 0.75 DPP4 (0.37) HTR2AHRH1MTNR1ACYP1A2MTNR1B
SCHEMBL4403414 0.75 HTR2A (0.34) HTR2AALDH1A1HPGDGAAKDM4E
SCHEMBL4438927 0.72 CYP2A6 (0.30) CYP2A6
SCHEMBL4403424 0.70 HTR2A (0.44) HTR2AHRH1MTNR1ACYP1A2MTNR1B
SCHEMBL4402560 0.69 HTR2A (0.45) HTR2AHRH1MTNR1AMTNR1BALDH1A1

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