SCHEMBL9116979

SCHEMBL9116979

CCCCCCCCCCCCCCCCCCOCCC(N)OC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.51
FAAH O00519 8/20 0.41
CES1 P23141 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
PLA2G2C Q5R387 2/20 0.40
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6032015 0.92 FAAH (0.49) CES2FAAHCES1MEN1KMT2A
SCHEMBL9443027 0.88 CES2 (0.46) CES2FAAHCES1MEN1KMT2A
SCHEMBL28283750 0.86 GRIK1 (0.44) CES2FAAHCES1MEN1KMT2A
SCHEMBL29282406 0.86 GRIK1 (0.44) CES2FAAHCES1MEN1KMT2A
SCHEMBL2158216 0.84 GRIK1 (0.42) CES2FAAHCES1MEN1KMT2A
SCHEMBL3963136 0.83 GRIK1 (0.41) CES2FAAHCES1MEN1KMT2A
SCHEMBL28317076 0.82 SLC1A2 (0.41) CES2FAAHCES1MEN1KMT2A
SCHEMBL11769413 0.81 CES2 (0.49) CES2MEN1KMT2ACYP1A2PLA2G2C
SCHEMBL5597178 0.81 CES2 (0.49) CES2MEN1KMT2ACYP1A2PLA2G2C
SCHEMBL3555667 0.79 GRIK1 (0.33) CES2FAAHCES1MEN1KMT2A

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
WO-1995034641-A1 STRUCTURAL MODELS FOR CYTOPLASMIC DOMAINS OF TRANSMEMBRANE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 1995-12-21 WO disclosed