SCHEMBL12493357

SCHEMBL12493357

CC(C)(C)OC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.56
▸ SYK P43405 1/20 0.54
▸ FKBP1A P62942 4/20 0.50
▸ CMA1 P23946 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ ACE2 Q9BYF1 2/20 0.48
▸ PREP P48147 2/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL1300212 0.94 ACE (0.61) ACESYKCMA1CTSLACE2
SCHEMBL1300209 0.94 ACE (0.61) ACESYKCMA1CTSLACE2
SCHEMBL12494481 0.93 FKBP1A (0.53) ACESYKFKBP1ACMA1CTSL
SCHEMBL12494238 0.93 FKBP1A (0.53) ACESYKFKBP1ACMA1CTSL
SCHEMBL12494239 0.93 FKBP1A (0.53) ACESYKFKBP1ACMA1CTSL
SCHEMBL31649419 0.88 SYK (0.54) ACESYKFKBP1ACMA1CTSL
SCHEMBL12105494 0.88 FKBP1A (0.55) ACESYKFKBP1ACMA1CTSL
SCHEMBL19217464 0.87 KLK5 (0.58) ACESYKFKBP1ACMA1CTSL
SCHEMBL11017398 0.86 ITGB3 (0.63) ACECMA1ACE2ITGB3ITGA2B
SCHEMBL6793017 0.84 SYK (0.61) SYKCTSLITGB3ITGA2B

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-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
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