SCHEMBL18480468

SCHEMBL18480468

CC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 2/20 0.58
▸ MMP1 P03956 2/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ MMP7 P09237 2/20 0.44
▸ TRPA1 O75762 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ PPARG P37231 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
SCHEMBL13758829 0.93 SSTR3 (0.50) SSTR3MMP1MMP3MMP7TRPA1
SCHEMBL13758689 0.93 SSTR3 (0.50) SSTR3MMP1MMP3MMP7TRPA1
SCHEMBL13294146 0.93 SSTR3 (0.50) SSTR3MMP1MMP3MMP7TRPA1
SCHEMBL857062 0.89 SSTR3 (0.47) SSTR3TRPA1
SCHEMBL857063 0.89 SSTR3 (0.47) SSTR3TRPA1
SCHEMBL859381 0.89 SSTR3 (0.47) SSTR3TRPA1
SCHEMBL18481909 0.88 SSTR3 (0.60) SSTR3MMP1MMP3MMP7PPARA
SCHEMBL15116511 0.88 SSTR3 (0.46) SSTR3MMP1MMP3MMP7TRPA1
SCHEMBL19388333 0.88 SSTR3 (0.46) SSTR3MMP1MMP3MMP7TRPA1
SCHEMBL15116510 0.87 SSTR3 (0.46) SSTR3TRPA1

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-2017021922-A1 NOVEL SUBSTITUTED AMIDES OF TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-02-09 — — WO disclosed
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