SCHEMBL13728313

SCHEMBL13728313

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.34
▸ CMA1 P23946 2/20 0.33
▸ CTSK P43235 3/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PREP P48147 1/20 0.31

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
SCHEMBL13729666 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL15668591 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL15668594 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL19458006 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL13728366 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL17732635 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL14913755 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL13728287 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL13728286 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL14912593 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914614-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 — — EP disclosed
EP-2914598-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 — — EP disclosed
EP-2914615-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-09 — — EP disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 — — EP disclosed
WO-2014070974-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014071032-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014071007-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 — — EP disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 — — WO disclosed
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