SCHEMBL10574141

SCHEMBL10574141

CC(=O)CC(=O)OCCCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HTR2C P28335 1/20 0.40
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 6/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10901101 1.00 FAAH (0.44) FAAHNAAAGAAMGAMSI
SCHEMBL10900176 0.98 GAA (0.44) FAAHNAAAGAAMGAMSI
SCHEMBL9808572 0.92 MGAM (0.46) FAAHNAAAGAAMGAMSI
SCHEMBL27474440 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL650012 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL23041373 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL27531643 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL4595426 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL6146968 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI
SCHEMBL28173874 0.89 MGAM (0.52) FAAHNAAAGAAMGAMSI

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-4853393-A HYPOTENSIVE AGENTS, ANTICOAGULANTS CIBA-GEIGY CORPORATION (US) 1989-08-01 US disclosed
EP-0194750-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
US-4419518-A VASODILATION, HYPOTENSIVE AGENTS TOKYO TANABE CO. L.T.D. (JP) 1983-12-06 US disclosed