SCHEMBL21020147

SCHEMBL21020147

C=C(NCCCC)C(CCC(=O)NCCCC)NC(=O)C(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GLP1R P43220 8/20 0.40
▸ NOD1 Q9Y239 3/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ MMP8 P22894 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38

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
SCHEMBL10066206 0.88 USP2 (0.50) CA1CA2USP2GLP1RNOD1
SCHEMBL24754576 0.88 USP2 (0.50) CA1CA2USP2GLP1RNOD1
SCHEMBL21020133 0.86 GLP1R (0.50) CA1CA2USP2GLP1RNOD1
SCHEMBL21020140 0.78 CA2 (0.45) CA1CA2USP2NOD1CASP2
SCHEMBL29849120 0.77 USP2 (0.50) CA1CA2USP2
SCHEMBL21020138 0.76 CA2 (0.43) CA1CA2USP2NOD1CASP2
SCHEMBL21019823 0.74 USP2 (0.49) CA1CA2USP2
SCHEMBL5491789 0.74 USP2 (0.71) CA1CA2USP2MMP2
SCHEMBL26716771 0.74 CA2 (0.46) CA1CA2USP2MMP2
SCHEMBL24754575 0.73 USP2 (0.51) CA1CA2USP2NOD1

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
EP-2658531-B1 USE OF GLUTAMIDE STABILIZERS AVON PROD INC (US) 2019-05-22 — — EP disclosed
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