SCHEMBL16012278

SCHEMBL16012278

C=CCCCC[C@@H](COC)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.32
▸ REN P00797 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ ACE P12821 2/20 0.30
▸ ELANE P08246 2/20 0.30

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
SCHEMBL16012277 1.00 ATM (0.35) ATMHDAC8RENCMA1ITGB3
SCHEMBL16012027 0.93 ALDH1A1 (0.33) HDAC8REN
SCHEMBL17364182 0.93 ALDH1A1 (0.33) HDAC8REN
SCHEMBL13830430 0.91 ATM (0.36) ATMHDAC8RENCMA1ITGB3
SCHEMBL16011884 0.88 ATM (0.34) ATMHDAC8RENCMA1
SCHEMBL16011885 0.88 ATM (0.34) ATMHDAC8RENCMA1
SCHEMBL18827805 0.87 ATM (0.38) ATMHDAC8CMA1ITGB3ITGA2B
SCHEMBL18557649 0.86 CMA1 (0.43) RENCMA1ITGB3ITGA2BACE
SCHEMBL15668840 0.84 ATM (0.36) ATMHDAC8CMA1ACE
SCHEMBL15668693 0.84 ATM (0.36) ATMHDAC8CMA1ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964664-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-13 — — EP disclosed
WO-2014137869-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-12 — — WO disclosed
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