SCHEMBL4405533

SCHEMBL4405533

COc1ccc2c3c(ccc2c1)CC1C2CC(C31)C1C3C=CC(C3)C21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
GAA P10253 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PTGS2 P35354 1/20 0.33
HTR2C P28335 5/20 0.32
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
RAD52 P43351 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4402553 0.92 MTNR1A (0.39) GAAHTR2CMTNR1AMTNR1BALDH1A1
SCHEMBL4402560 0.85 HTR2A (0.45) HTR2AHRH1GAASLC6A2SLC6A4
SCHEMBL4405540 0.81 DPP4 (0.37) HTR2AHRH1GAASLC6A2SLC6A4
SCHEMBL4401569 0.78 CHRNB2 (0.42) HTR2AGAAHTR2CALDH1A1
SCHEMBL4405529 0.77 MTNR1A (0.45) GAAHTR2CMTNR1AMTNR1BALDH1A1
SCHEMBL4401574 0.76 CHRNB2 (0.40) HTR2AGAAHTR2CALDH1A1
SCHEMBL4408136 0.75 HTR2A (0.38) HTR2AHRH1GAAHTR2CMTNR1A
SCHEMBL4401575 0.75 MTNR1A (0.37) GAAMTNR1AMTNR1B
SCHEMBL4408092 0.74 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL14980969 0.74 POLB (0.36) CYP2A6ALDH1A1

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