SCHEMBL20072330

SCHEMBL20072330

C=C(O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.56
▸ ACE P12821 2/20 0.56
▸ MMEL1 Q495T6 5/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 2/20 0.55
▸ ATM Q13315 1/20 0.55
▸ APP P05067 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ BCL2 P10415 1/20 0.47

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
SCHEMBL30889 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL3877643 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL21572793 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL1908539 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL3867666 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL597902 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL29046 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL13566634 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL29983 0.91 MME (0.68) MMEACEMMEL1CTSSCTSK
SCHEMBL1231233 0.90 MME (0.67) MMEACEMMEL1CTSSCTSK

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-2018069833-A1 STABLE AMORPHOUS FORM OF SACUBITRIL VALSARTAN TRISODIUM COMPLEX AND PROCESSES FOR PREPARATION THEREOF LAURUS LABS LIMITED (IN) 2018-04-19 — — WO disclosed
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