SCHEMBL17830827

SCHEMBL17830827

C=C(C)C(=O)OCCNC(=O)CCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
FAAH O00519 6/20 0.53
DNM1 Q05193 2/20 0.50
LPAR1 Q92633 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
ENPP2 Q13822 1/20 0.49
CASP2 P42575 1/20 0.49
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL16425936 0.94 TSHR (0.51) TSHRFAAHDNM1LPAR1LPAR2
SCHEMBL4916547 0.91 TSHR (0.57) TSHRFAAHDNM1LPAR1LPAR2
SCHEMBL4915028 0.89 TSHR (0.54) TSHRFAAHDNM1LPAR1LPAR2
SCHEMBL24099523 0.89 TSHR (0.50) TSHRFAAHLPAR1LPAR2ENPP2
SCHEMBL4918092 0.87 TSHR (0.51) TSHRFAAHCNR1
SCHEMBL27647599 0.87 FAAH (0.59) FAAHDNM1LPAR1LPAR2ENPP2
SCHEMBL16309307 0.85 THRB (0.48) TSHRFAAHCASP2CNR1
SCHEMBL8351897 0.84 TSHR (0.57) TSHRFAAHCASP2NAAACNR1
SCHEMBL16309297 0.84 TSHR (0.53) TSHRFAAHDNM1CASP2
SCHEMBL8330019 0.84 FAAH (0.60) FAAHDNM1LPAR1LPAR2ENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777091-B2 Copolymer, ink, and ink container RICOH COMPANY, LTD. (JP) 2017-10-03 US disclosed
US-9777091-B2 Copolymer, ink, and ink container RICOH COMPANY, LTD. (JP) 2017-10-03 US disclosed
US-20160168292-A1 COPOLYMER, INK, AND INK CONTAINER RICOH COMPANY, LTD. (JP) 2016-06-16 US disclosed