SCHEMBL2371971

SCHEMBL2371971

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
CTSA P10619 4/20 0.44
RORB Q92753 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGFR P43088 3/20 0.40

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
SCHEMBL2373467 0.90 DHODH (0.52) DHODHCTSARORBMAPTMEN1
SCHEMBL2373302 0.89 RORB (0.42) CTSARORBMAPTMEN1KMT2A
SCHEMBL2373266 0.86 DHODH (0.47) DHODHCTSARORBMAPTMEN1
SCHEMBL2372676 0.84 DHODH (0.49) DHODHCTSAMAPTMEN1KMT2A
SCHEMBL2373595 0.84 DHODH (0.45) DHODHCTSARORBMAPTMEN1
SCHEMBL2373099 0.83 KDM4E (0.47) DHODHCTSAMAPTMEN1KMT2A
SCHEMBL2372609 0.82 DHODH (0.53) DHODHKDM4EGAAPDE10APTGFR
SCHEMBL2373263 0.82 TRPV4 (0.49) DHODHMAPTMEN1KMT2AKDM4E
SCHEMBL2372892 0.81 DHODH (0.44) DHODHCTSAMAPTMEN1KMT2A
SCHEMBL2373280 0.81 DHODH (0.44) DHODHMAPTMEN1KMT2AKDM4E

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