SCHEMBL11242101

SCHEMBL11242101

C=CC(N)(C=CCN)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33

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
SCHEMBL11242098 1.00 DGAT1 (0.33) DGAT1
SCHEMBL11228740 0.74 GABRR1 (0.44)
SCHEMBL11237630 0.74 GABRR1 (0.44)
SCHEMBL7021627 0.71 DGAT1 (0.41) DGAT1
SCHEMBL27405198 0.67 DGAT1 (0.38) DGAT1
SCHEMBL2989940 0.66 GABRR1 (0.44) DGAT1
Allylamine SCHEMBL4894416 0.66 ALDH1A1 (0.39) DGAT1
SCHEMBL27461001 0.66 GABRR1 (0.35)
SCHEMBL3383788 0.65 DGAT1 (0.43) DGAT1
SCHEMBL18817843 0.65 DGAT1 (0.43) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323704-A ENZYME INHIBITORS USEFUL AGAINST BACTERIA, FUNGUS AND VIRAL INFECTIONS, MALE ANTIFERTILITY AGENTS, IMMUNO-SUPPRESSANTS, AND ANTITUMOR ACTIVITY MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-06 US disclosed
US-4267374-A BACTERICIDES; VIRICIDES; FUNGICIDES; INHIBITORS OF HYDROLASE ENZYMES; INTERMEDIATE FOR CEPHALOSPORIN COMPOUND MERRELL TORAUDE ET COMPAGNIE (FR) 1981-05-12 US disclosed