SCHEMBL7327072

SCHEMBL7327072

COc1ccc(CC(CC(=O)N2CCOCC2)C(=O)N2C(=O)OCC2C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.47
POLB P06746 3/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PKM P14618 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
IL6ST P40189 1/20 0.40
MME P08473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 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
SCHEMBL7439715 1.00 FKBP1A (0.47) FKBP1APOLBGAAHPGDALDH1A1
SCHEMBL7439721 1.00 FKBP1A (0.47) FKBP1APOLBGAAHPGDALDH1A1
SCHEMBL9220378 0.92 KMT2A (0.45) FKBP1APOLBGAAHPGDALDH1A1
SCHEMBL9220375 0.92 KMT2A (0.45) FKBP1APOLBGAAHPGDALDH1A1
SCHEMBL9220381 0.92 KMT2A (0.45) FKBP1APOLBGAAHPGDALDH1A1
SCHEMBL9214752 0.91 MAPT (0.47) FKBP1APOLBGAAMAPTPKM
SCHEMBL3811785 0.79 REN (0.41) ALDH1A1IL6STMEN1KMT2AKDM4E
SCHEMBL2295984 0.79 REN (0.41) ALDH1A1IL6STMEN1KMT2AKDM4E
SCHEMBL3811779 0.79 REN (0.41) ALDH1A1IL6STMEN1KMT2AKDM4E
SCHEMBL7269161 0.78 FKBP1A (0.62) FKBP1APOLBGAAHPGDALDH1A1

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-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-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed