SCHEMBL8444550

SCHEMBL8444550

COC(=O)CC1CCCCC1CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL28388535 0.90 EPHX2 (0.39) EPHX2TSHRNPSR1BRD4GAA
SCHEMBL31459648 0.87 EPHX2 (0.36) EPHX2TSHRBRD4GAAHSD17B10
SCHEMBL18517008 0.86 EPHX2 (0.39) EPHX2TSHRNPSR1BRD4GAA
SCHEMBL11068018 0.86 EPHX2 (0.39) EPHX2TSHRNPSR1BRD4GAA
Hydrochloric Acid SCHEMBL28795083 0.84 EPHX2 (0.38) EPHX2TSHRNPSR1BRD4SMN1; SMN2
SCHEMBL8891785 0.84 SLC6A2 (0.38) EPHX2TSHRNPSR1BRD4SMN1; SMN2
SCHEMBL13895147 0.84 EPHX2 (0.38) EPHX2TSHRNPSR1BRD4GAA
SCHEMBL12616310 0.83 ALDH1A1 (0.38) EPHX2TSHRBRD4GAAHSD17B10
SCHEMBL10389690 0.82 CYP2D6 (0.40) EPHX2TSHRNPSR1BRD4GAA
SCHEMBL18517048 0.82 EPHX2 (0.37) EPHX2TSHRNPSR1BRD4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724260-A1 Process for the synthesis of ¬2S, 3aR, 7aS|-octahydroindole-2-carboxylic acid and its conversion to trandolapril Sochinaz SA (CH) 2006-11-22 EP disclosed