SCHEMBL234806

SCHEMBL234806

CCCCCCCCCCCCCCCCCCCCCCC(CC)CCCCC/C=C\c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.48
CNR1 P21554 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
SMPD2 O60906 2/20 0.41
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL1612562 0.89 CHAT (0.57) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL6439610 0.88 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1469797 0.88 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1469800 0.88 CHAT (0.55) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL1468841 0.83 CHAT (0.52) CHATCNR1SMPD2MTNR1AMTNR1B
SCHEMBL1468842 0.83 CHAT (0.52) CHATCNR1SMPD2MTNR1AMTNR1B
SCHEMBL28599340 0.81 CHAT (0.49) CHATCNR1CYSLTR2CYSLTR1SMPD2
SCHEMBL234807 0.78 F7 (0.39) CNR1KDM4EKMT2AL3MBTL1PRSS1
SCHEMBL304715 0.77 CHAT (0.52) CHATCNR1KDM4EKMT2AL3MBTL1
SCHEMBL303704 0.77 CHAT (0.52) CHATCNR1KDM4EKMT2AL3MBTL1

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-8445571-B2 Processing agent for polyurethane elastomer fibers TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2013-05-21 US disclosed
US-20120004352-A1 POLYURETHANE ELASTOMER FIBERS AND PROCESSING AGENT AND METHOD THEREFOR TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2012-01-05 US disclosed