SCHEMBL7277223

SCHEMBL7277223

CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](CC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.53
SLC15A1 P46059 2/20 0.43
IDH1 O75874 3/20 0.42
STAT3 P40763 1/20 0.39
AVPR1A P37288 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC3 O15438 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.38
OPRK1 P41145 1/20 0.38
NR1H2 P55055 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL7277218 1.00 IL6ST (0.53) IL6STSLC15A1IDH1STAT3AVPR1A
SCHEMBL7277227 1.00 IL6ST (0.53) IL6STSLC15A1IDH1STAT3AVPR1A
SCHEMBL2299086 0.88 IL6ST (0.47) IL6STSLC15A1IDH1CYP1A2CYP3A4
SCHEMBL2299084 0.88 IL6ST (0.47) IL6STSLC15A1IDH1CYP1A2CYP3A4
SCHEMBL2299083 0.88 IL6ST (0.47) IL6STSLC15A1IDH1CYP1A2CYP3A4
SCHEMBL9739729 0.87 IL6ST (0.59) IL6STIDH1STAT3CYP1A2NAAA
SCHEMBL9739731 0.87 IL6ST (0.59) IL6STIDH1STAT3CYP1A2NAAA
SCHEMBL7277673 0.87 IL6ST (0.52) IL6STIDH1STAT3NAAA
SCHEMBL7274947 0.84 SLC15A1 (0.44) IL6STSLC15A1AVPR1ACYP1A2CYP3A4
SCHEMBL7274942 0.84 SLC15A1 (0.44) IL6STSLC15A1AVPR1ACYP1A2CYP3A4

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