SCHEMBL9740620

SCHEMBL9740620

O=C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.49
▸ SRR Q9GZT4 2/20 0.49
▸ PKM P14618 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PPARG P37231 13/20 0.45
▸ PPARA Q07869 11/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9740628 1.00 ACE (0.49) ACESRRPKMKMT2APPARG
SCHEMBL9354983 0.92 ACE (0.47) ACESRRPKMPPARGPPARA
SCHEMBL9354973 0.92 ACE (0.47) ACESRRPKMPPARGPPARA
SCHEMBL8682156 0.86 SRR (0.51) ACESRRKMT2APPARGPPARA
SCHEMBL8909660 0.86 SRR (0.51) ACESRRKMT2APPARGPPARA
SCHEMBL9359097 0.86 SRR (0.51) ACESRRKMT2APPARGPPARA
SCHEMBL9358262 0.84 ACE (0.45) ACESRRPKMPPARGPPARA
SCHEMBL9358267 0.84 ACE (0.45) ACESRRPKMPPARGPPARA
SCHEMBL7278049 0.83 HSD17B10 (0.58) ACESRRPPARGPPARA
SCHEMBL9359129 0.83 DPP4 (0.49) ACESRRPPARGPPARA

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 — — US disclosed
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