SCHEMBL19308433

SCHEMBL19308433

CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.58
▸ GLP1R P43220 8/20 0.54
▸ LPAR3 Q9UBY5 4/20 0.53
▸ CASP2 P42575 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ SIRT3 Q9NTG7 1/20 0.53
▸ LPAR1 Q92633 2/20 0.52
▸ FAAH O00519 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ NAAA Q02083 1/20 0.50

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
SCHEMBL25542893 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542895 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542898 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542908 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL16264552 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542902 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542862 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL16244936 0.94 FAAH (0.54) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25549709 0.93 EPHX2 (0.61) LPAR1EPHX2
SCHEMBL25549652 0.93 EPHX2 (0.61) LPAR1EPHX2

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-9750676-B2 Basic amino acid derivative that demonstrates a gelling ability in a water system AJINOMOTO CO., INC. (JP) 2017-09-05 — — US disclosed
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