SCHEMBL14166175

SCHEMBL14166175

O=C(O)c1cc(C(=O)O)cc(-c2ccc(CCc3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.56
RARB P10826 6/20 0.55
RXRA P19793 3/20 0.52
RXRB P28702 3/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR1 O14842 1/20 0.47
DAO P14920 1/20 0.46
MCL1 Q07820 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL15814719 0.87 DHODH (0.69) DHODHRXRARXRB
SCHEMBL16488615 0.87 DHODH (0.69) DHODHRXRARXRB
SCHEMBL18604547 0.84 DHODH (0.67) DHODHRXRARXRB
SCHEMBL4246903 0.84 DHODH (0.67) DHODHRXRARXRB
Terephthalic Acid SCHEMBL28210383 0.83 RARB (0.69) RARBRXRARXRBMEN1ALDH1A1
SCHEMBL686581 0.82 RXRA (0.65) DHODHRXRARXRB
SCHEMBL23346266 0.80 EGFR (0.64) DHODHRXRARXRB
SCHEMBL23671728 0.80 DHODH (0.81) DHODHRXRARXRBMAPTDAO
Water SCHEMBL28916522 0.80 RXRA (0.63) DHODHRXRARXRB
SCHEMBL7607957 0.79 RARB (0.65) RARBMEN1ALDH1A1RARAMAPT

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-2012168151-A1 COMPOSITIONS, METHODS AND USES CASTROL LIMITED (GB) 2012-12-13 WO disclosed