SCHEMBL16983677

SCHEMBL16983677

CCC1(CO)C[C@@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.36
▸ MME P08473 3/20 0.34
▸ ACE P12821 1/20 0.34
▸ FFAR4 Q5NUL3 6/20 0.33
▸ FASN P49327 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ MMEL1 Q495T6 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MDM2 Q00987 3/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL24380853 1.00 PAK1 (0.36) PAK1MMEACEFFAR4FASN
SCHEMBL24380864 0.92 PAK1 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL24380867 0.92 PAK1 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL16942438 0.92 PAK1 (0.36) PAK1MMEACEFFAR4FASN
SCHEMBL24381008 0.92 PAK1 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL19086029 0.92 PAK1 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL24381007 0.91 FFAR4 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL24381004 0.91 FFAR4 (0.34) PAK1MMEACEFFAR4FASN
SCHEMBL19695660 0.90 MME (0.36) PAK1MMEACEFFAR4FASN
SCHEMBL24380891 0.90 PAK1 (0.33) PAK1MMEACEFFAR4FASN

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-2015116760-A1 5-BIPHENYL-4-HETEROARYLCARBONYLAMINO-PENTANOIC ACID DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 — — WO disclosed
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