SCHEMBL10189658

SCHEMBL10189658

COC(=O)C[C@H]1CC[C@H](c2ccc(-c3cc(F)c(C=O)cn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.51
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15054761 0.83 DGAT1 (0.54) DGAT1
SCHEMBL898526 0.83 DGAT1 (0.54) DGAT1
SCHEMBL180599 0.78 DGAT1 (0.54) DGAT1
SCHEMBL180547 0.78 DGAT1 (0.54) DGAT1
SCHEMBL10188659 0.78 DGAT1 (0.56) DGAT1
SCHEMBL180810 0.77 DGAT1 (0.56) DGAT1
SCHEMBL902024 0.76 DGAT1 (0.43) DGAT1ALDH1A1MAPT
SCHEMBL180643 0.76 DGAT1 (0.57) DGAT1ALDH1A1
SCHEMBL15073266 0.76 DGAT1 (0.52) DGAT1ALDH1A1
SCHEMBL14971538 0.75 DGAT1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed