SCHEMBL24095912

SCHEMBL24095912

CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)CN)cc1)C(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.40
SIRT2 Q8IXJ6 9/20 0.38
SIRT1 Q96EB6 8/20 0.38
SIRT3 Q9NTG7 4/20 0.36
SIRT5 Q9NXA8 3/20 0.36
QRFPR Q96P65 1/20 0.35
HTT P42858 1/20 0.35
FURIN P09958 2/20 0.34

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
SCHEMBL26560488 0.94 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25564557 0.93 FAP (0.38) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL21082516 0.92 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL25833845 0.92 FAP (0.40) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24584968 0.87 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL24774254 0.87 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL26140860 0.87 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL23189216 0.87 FAP (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL22525021 0.87 SIRT2 (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL22871647 0.86 FAP (0.38) FAPSIRT2SIRT1SIRT3SIRT5

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-2021250418-A1 TREATMENT OF DISEASES CHARACTERIZED BY OVEREXPRESSION OF ERYTHROPOIETIN-PRODUCING HEPATOCELLULAR RECEPTOR A2 (EPHA2) BICYCLETX LIMITED (GB) 2021-12-16 WO disclosed