SCHEMBL9941284

SCHEMBL9941284

Cc1oc(=O)oc1COC(=O)C(O)CC(N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.42
▸ SRR Q9GZT4 2/20 0.39
▸ PSAT1 Q9Y617 2/20 0.39
▸ MME P08473 9/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.36
▸ ACE P12821 6/20 0.36
▸ POLB P06746 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ LAP3 P28838 1/20 0.35

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
SCHEMBL9929680 1.00 FOLH1 (0.42) FOLH1SRRPSAT1MMECHRM1
SCHEMBL14890861 0.90 MME (0.47) MMEACE
SCHEMBL19190551 0.90 MME (0.47) MMEACE
SCHEMBL18724735 0.82 MME (0.46) MMEACE
SCHEMBL17011152 0.82 MME (0.46) MMEACE
SCHEMBL9929533 0.81 MME (0.53) SRRPSAT1MMEGPR88ACE
SCHEMBL9966297 0.81 MME (0.53) SRRPSAT1MMEGPR88ACE
SCHEMBL9929512 0.81 MME (0.53) SRRPSAT1MMEGPR88ACE
SCHEMBL9929510 0.81 MME (0.53) SRRPSAT1MMEGPR88ACE
SCHEMBL9929634 0.81 MME (0.53) SRRPSAT1MMEGPR88ACE

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-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 — — EP disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — WO disclosed
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