SCHEMBL21389121

SCHEMBL21389121

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(C)C)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.53
▸ DNM1 Q05193 2/20 0.52
▸ FAAH O00519 6/20 0.51
▸ NAAA Q02083 1/20 0.50
▸ NOD1 Q9Y239 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SLC6A5 Q9Y345 2/20 0.47
▸ EPHX1 P07099 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ GLP1R P43220 2/20 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
SCHEMBL21389124 0.90 CASP2 (0.51) CASP2DNM1FAAHNAAANOD1
SCHEMBL22423516 0.89 GLP1R (0.54) CASP2DNM1FAAHNAAANOD1
SCHEMBL21389120 0.89 NOD1 (0.63) NOD1EPHX2SLC6A5GLP1R
SCHEMBL24796610 0.89 NOD1 (0.58) CASP2DNM1FAAHNAAANOD1
SCHEMBL20016978 0.88 CASP2 (0.51) CASP2DNM1FAAHNAAANOD1
SCHEMBL24155207 0.86 CASP2 (0.56) CASP2DNM1FAAHNAAANOD1
SCHEMBL15759326 0.86 CASP2 (0.56) CASP2DNM1FAAHNAAANOD1
SCHEMBL24483387 0.86 CASP2 (0.56) CASP2DNM1FAAHNAAANOD1
SCHEMBL16221915 0.86 CASP2 (0.56) CASP2DNM1FAAHNAAANOD1
SCHEMBL25453667 0.85 FAAH (0.44) FAAHNOD1MEN1MAPK1KMT2A

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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