SCHEMBL9622302

SCHEMBL9622302

O=C(O)CNC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.72
ALDH1A1 P00352 2/20 0.72
ACE P12821 2/20 0.72
HPGD P15428 1/20 0.72
MAPK1 P28482 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MEN1 O00255 1/20 0.72
MAPT P10636 1/20 0.72
ECE1 P42892 1/20 0.72
BLM P54132 1/20 0.72
NPEPPS P55786 1/20 0.72
KMT2A Q03164 1/20 0.72
CYP1A2 P05177 1/20 0.59

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
SCHEMBL9622300 1.00 MME (0.72) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL10447979 0.90 MME (0.81) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL7103054 0.85 MME (0.74) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL825762 0.85 MME (0.74) MMEALDH1A1ACEHPGDMAPK1
SCHEMBL10396440 0.84 ACE (0.77) MMEACE
SCHEMBL7432078 0.84 ACE (0.77) MMEACE
SCHEMBL7432071 0.84 ACE (0.77) MMEACE
SCHEMBL10396439 0.84 ACE (0.77) MMEACE
SCHEMBL7437961 0.84 ACE (0.77) MMEACE
(R)-Thiorphan SCHEMBL7312756 0.84 MME (1.00) MMEALDH1A1ACEHPGDMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed