SCHEMBL15909004

SCHEMBL15909004

CCCC[C@@](F)(C(=O)O)N(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
FAAH O00519 8/20 0.38
CES1 P23141 6/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
EPHX1 P07099 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL15909003 1.00 CES2 (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL4424795 0.87 CES2 (0.32) CES2FAAHCES1MEN1CYP1A2
SCHEMBL4424793 0.87 CES2 (0.32) CES2FAAHCES1MEN1CYP1A2
SCHEMBL6151308 0.78 ODC1 (0.41) MEN1CYP1A2KMT2A
SCHEMBL6151309 0.78 ODC1 (0.41) MEN1CYP1A2KMT2A
SCHEMBL308123 0.73 RNPEP (0.31)
SCHEMBL308124 0.73 RNPEP (0.31)
SCHEMBL7825586 0.73 CES2 (0.43) CES2FAAHCES1MEN1CYP1A2
SCHEMBL7825590 0.73 CES2 (0.43) CES2FAAHCES1MEN1CYP1A2
SCHEMBL1706449 0.73 CES2 (0.54) CES2FAAHCES1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796305-B2 Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-05 US disclosed