SCHEMBL7268142

SCHEMBL7268142

COc1ccc(C[C@H](CC(=O)N2CCCCC2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
LDHA P00338 1/20 0.52
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.48
CACNA2D1 P54289 2/20 0.46
CACNA1B Q00975 2/20 0.46
CACNB1 Q02641 2/20 0.46
CACNA1C Q13936 2/20 0.46
CACNA1G O43497 1/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7268138 1.00 KMT2A (0.56) KMT2AMEN1SMN1; SMN2HPGDLDHA
SCHEMBL9219304 0.89 MAPT (0.64) KMT2AMEN1SMN1; SMN2LDHAPOLB
SCHEMBL9219299 0.89 MAPT (0.64) KMT2AMEN1SMN1; SMN2LDHAPOLB
SCHEMBL7269160 0.88 FKBP1A (0.62) KMT2ASMN1; SMN2HPGDLDHAPOLB
SCHEMBL9832234 0.88 FKBP1A (0.62) KMT2ASMN1; SMN2HPGDLDHAPOLB
SCHEMBL7269161 0.88 FKBP1A (0.62) KMT2ASMN1; SMN2HPGDLDHAPOLB
Hydrochloric Acid SCHEMBL7269708 0.88 MAPT (0.62) KMT2AMEN1SMN1; SMN2LDHAPOLB
SCHEMBL9049887 0.83 LDHA (0.48) KMT2AMEN1SMN1; SMN2HPGDLDHA
SCHEMBL9049891 0.83 LDHA (0.48) KMT2AMEN1SMN1; SMN2HPGDLDHA
SCHEMBL7369347 0.82 ALDH1A1 (0.55) SMN1; SMN2HPGDPOLBPKMMAPT

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
EP-0383635-B1 Peptides having renin inhibitory activity their preparation and use SANKYO CO (JP) 1995-07-12 EP disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 EP disclosed