SCHEMBL2373467

SCHEMBL2373467

CCOc1cccc2c(C(=O)O)c(C)c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.52
PDE10A Q9Y233 3/20 0.50
CTSA P10619 3/20 0.43
TSHR P16473 1/20 0.43
RORB Q92753 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XDH P47989 1/20 0.42
PIN1 Q13526 1/20 0.42
KMO O15229 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
SCHEMBL2371971 0.90 DHODH (0.45) DHODHPDE10ACTSARORBMEN1
SCHEMBL2373164 0.83 DHODH (0.56) DHODHPDE10ATSHR
SCHEMBL2372698 0.82 DHODH (0.56) DHODHPDE10ATSHRRORBMEN1
SCHEMBL2372552 0.82 DHODH (0.62) DHODHPDE10ATSHRALDH1A1SMN1; SMN2
SCHEMBL2372758 0.81 DHODH (0.56) DHODHPDE10ATSHR
SCHEMBL2373302 0.81 RORB (0.42) CTSARORBMEN1MAPTKMT2A
SCHEMBL2462422 0.81 DHODH (0.53) DHODHPDE10ATSHRPIN1
SCHEMBL2372887 0.81 DHODH (0.53) DHODHPDE10ATSHRMAPT
SCHEMBL2372855 0.80 DHODH (0.71) DHODHPDE10ATSHRKMT2A
SCHEMBL2372388 0.78 DHODH (0.53) DHODHPDE10ATSHRMEN1KMT2A

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