SCHEMBL5595294

SCHEMBL5595294

CC(C)(Cc1c[nH]c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.38
NR1H3 Q13133 8/20 0.38
DGAT1 O75907 4/20 0.36
MLYCD O95822 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL4880561 0.81 NR1H2 (0.42) NR1H2NR1H3MLYCD
SCHEMBL5595300 0.79 MLYCD (0.41) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL4419153 0.77 MLYCD (0.41) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL4429385 0.75 NR1H3 (0.37) NR1H2NR1H3MLYCDSMN1; SMN2RORC
SCHEMBL4884879 0.74 NR1H2 (0.46) NR1H2NR1H3MLYCD
SCHEMBL7248333 0.68 GFER (0.46) DGAT1
SCHEMBL9145018 0.68 RAB9A (0.48)
SCHEMBL1436365 0.67 NPBWR1 (0.37) SMN1; SMN2
SCHEMBL12775761 0.66 POLB (0.38) NR1H2NR1H3
SCHEMBL4883425 0.66 MLYCD (0.44) NR1H2NR1H3DGAT1MLYCDRORC

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
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed