SCHEMBL2372055

SCHEMBL2372055

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2ccc(OC(C)C)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.54
PTGFR P43088 12/20 0.49
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2373029 0.91 DHODH (0.57) DHODHPTGFR
SCHEMBL2372825 0.91 DHODH (0.64) DHODHPTGFR
SCHEMBL2373573 0.90 PTGFR (0.56) DHODHPTGFR
SCHEMBL2372070 0.89 DHODH (0.65) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2372609 0.88 DHODH (0.53) DHODHPTGFRKDM4EGAA
SCHEMBL14553163 0.87 DHODH (0.59) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2371993 0.87 DHODH (0.59) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2461722 0.86 DHODH (0.73) DHODHPTGFR
SCHEMBL2372745 0.86 PTGFR (0.61) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2373084 0.86 DHODH (0.49) DHODHPTGFRKDM4EMEN1ALDH1A1

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed