SCHEMBL10715992

SCHEMBL10715992

CC(C)C(C[PH](=O)OCC(NC(=O)OC(C)(C)C)C1CCCCC1)N(C=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ ATM Q13315 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ ACE P12821 1/20 0.35
▸ REN P00797 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ KLK5 Q9Y337 1/20 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
SCHEMBL10716167 0.76 CTSK (0.38) KMT2ACACNA1BCTSL
SCHEMBL10715988 0.74 REN (0.41) KMT2AATMMEN1CACNA1BREN
SCHEMBL7274687 0.72 REN (0.52) RENCTSL
SCHEMBL10718266 0.70 CTSK (0.38) KMT2ACACNA1BCTSL
SCHEMBL10717336 0.67 ALDH1A1 (0.42) —
SCHEMBL8082012 0.67 ATM (0.56) KMT2AATMMEN1ACECTSL
SCHEMBL7378383 0.67 CTSL (0.48) KMT2AATMCACNA1BACEREN
SCHEMBL4357112 0.66 HDAC4 (0.42) KMT2ACACNA1B
SCHEMBL10715943 0.66 HDAC4 (0.42) KMT2ACACNA1BREN
SCHEMBL13605051 0.66 HDAC4 (0.42) KMT2ACACNA1B

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
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP claimed
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