SCHEMBL16011885

SCHEMBL16011885

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ REN P00797 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSK P43235 1/20 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
SCHEMBL16011884 1.00 ATM (0.34) ATMRENCMA1HDAC8CTSL
SCHEMBL17364144 0.93 PEPD (0.36) RENHDAC8CTSLCTSBCTSK
SCHEMBL16012130 0.93 PEPD (0.36) RENHDAC8CTSLCTSBCTSK
SCHEMBL13830154 0.91 ATM (0.35) ATMRENCMA1HDAC8CTSL
SCHEMBL15647847 0.91 ATM (0.35) ATMRENCMA1HDAC8CTSL
SCHEMBL19458006 0.89 ATM (0.37) ATMCMA1HDAC8CTSLCTSB
SCHEMBL13729666 0.89 ATM (0.37) ATMCMA1HDAC8CTSLCTSB
SCHEMBL13728313 0.89 ATM (0.37) ATMCMA1HDAC8CTSLCTSB
SCHEMBL15668594 0.89 ATM (0.37) ATMCMA1HDAC8CTSLCTSB
SCHEMBL17732635 0.89 ATM (0.37) ATMCMA1HDAC8CTSLCTSB

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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