SCHEMBL5231602

SCHEMBL5231602

CCC(=O)N(CC(=O)O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 17/20 0.69
LMNA P02545 1/20 0.53
RORC P51449 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6843613 0.87 MLYCD (0.71) MLYCDLMNARORCSMN1; SMN2
SCHEMBL5231374 0.82 MLYCD (1.00) MLYCDLMNARORCSMN1; SMN2
SCHEMBL5229710 0.80 MLYCD (1.00) MLYCDRORC
SCHEMBL6493549 0.79 MLYCD (0.63) MLYCDLMNASMN1; SMN2
SCHEMBL6470863 0.77 ESR1 (0.41) MLYCD
SCHEMBL6470937 0.76 ALDH1A1 (0.55) SMN1; SMN2
SCHEMBL11472535 0.74 MLYCD (0.66) MLYCDLMNASMN1; SMN2
SCHEMBL6496268 0.74 NR1H2 (0.63) MLYCDLMNARORCSMN1; SMN2
SCHEMBL3221857 0.73 MLYCD (0.69) MLYCDLMNA
SCHEMBL6843778 0.73 MLYCD (0.64) MLYCDLMNARORCSMN1; SMN2

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-1353662-B1 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-04-18 EP claimed