SCHEMBL1903557

SCHEMBL1903557

CCC(C)C(NC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 20/20 0.64

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
SCHEMBL1895701 0.89 MLYCD (0.64) MLYCD
SCHEMBL649533 0.87 MLYCD (0.67) MLYCD
SCHEMBL6730506 0.80 MLYCD (0.65) MLYCD
SCHEMBL29485751 0.75 MLYCD (1.00) MLYCD
SCHEMBL29485754 0.75 MLYCD (1.00) MLYCD
SCHEMBL648813 0.73 MLYCD (0.62) MLYCD
SCHEMBL12868401 0.64 MLYCD (0.51) MLYCD
SCHEMBL649340 0.60 MLYCD (0.48) MLYCD
SCHEMBL15302508 0.60 ALDH1A1 (0.68)
SCHEMBL15302507 0.60 ALDH1A1 (0.68)

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-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP claimed