SCHEMBL21389085

SCHEMBL21389085

C=C(C)CC(CCCCCCCCCCC)CCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(C)C)C(=O)C(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.50
▸ NOD1 Q9Y239 7/20 0.48
▸ EPHX2 P34913 3/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ AR P10275 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL21389083 0.90 NOD1 (0.53) GLP1RNOD1EPHX2SLC6A5
SCHEMBL21389084 0.89 NOD1 (0.62) GLP1RNOD1EPHX2SLC6A5
SCHEMBL24494715 0.88 NOD1 (0.60) GLP1RNOD1EPHX2SLC6A5
SCHEMBL21389120 0.84 NOD1 (0.63) GLP1RNOD1EPHX2SLC6A5
SCHEMBL26743907 0.82 NOD1 (0.67) GLP1RNOD1EPHX2SLC6A5
SCHEMBL25715324 0.81 NOD1 (0.59) GLP1RNOD1EPHX2SLC6A5
SCHEMBL21389122 0.81 NOD1 (0.62) GLP1RNOD1EPHX2ESR1PGR
SCHEMBL25715319 0.80 NOD1 (0.63) GLP1RNOD1EPHX2SLC6A5
SCHEMBL21686255 0.80 NOD1 (0.63) GLP1RNOD1EPHX2SLC6A5
SCHEMBL13461485 0.79 CASP2 (0.54) NOD1EPHX2SLC6A5

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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