SCHEMBL7269161

SCHEMBL7269161

COc1ccc(C[C@H](CC(=O)N2CCOCC2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.62
POLB P06746 3/20 0.57
GAA P10253 2/20 0.55
CYP2D6 P10635 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.50
LDHA P00338 1/20 0.50
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.48
AKR1C3 P42330 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7269160 1.00 FKBP1A (0.62) FKBP1APOLBGAACYP2D6HPGD
SCHEMBL9832234 1.00 FKBP1A (0.62) FKBP1APOLBGAACYP2D6HPGD
SCHEMBL7268138 0.88 KMT2A (0.56) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL7268142 0.88 KMT2A (0.56) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL9219299 0.86 MAPT (0.64) POLBGAAMAPTSMN1; SMN2PKM
SCHEMBL9219304 0.86 MAPT (0.64) POLBGAAMAPTSMN1; SMN2PKM
SCHEMBL7322372 0.86 FKBP1A (0.54) FKBP1APOLBGAACYP2D6HPGD
SCHEMBL7322379 0.86 FKBP1A (0.54) FKBP1APOLBGAACYP2D6HPGD
Hydrochloric Acid SCHEMBL7269708 0.85 MAPT (0.62) POLBGAAMAPTSMN1; SMN2PKM
SCHEMBL7269464 0.84 FKBP1A (0.58) FKBP1APOLBHPGDALDH1A1MAPT

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 10 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
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0326364-B1 Renin inhibitory oligopeptides, their preparation and use SANKYO CO (JP) 1994-06-22 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 EP disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed