SCHEMBL8312104

SCHEMBL8312104

Cc1cc(C(=O)O)ccc1SC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.57
RARB P10826 12/20 0.57
RXRB P28702 11/20 0.57
RARG P13631 11/20 0.57
RXRG P48443 9/20 0.57
RARA P10276 10/20 0.56
CYP26A1 O43174 3/20 0.56
CYP26B1 Q9NR63 1/20 0.56
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CRABP2 P29373 1/20 0.50

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
SCHEMBL8311698 0.85 RXRA (0.52) RXRARARBRXRBRARGRXRG
SCHEMBL9867927 0.83 RXRA (0.71) RXRARARBRXRBRARGRXRG
SCHEMBL7720955 0.82 RXRA (0.71) RXRARARBRXRBRARGRXRG
SCHEMBL846110 0.82 RARB (0.81) RXRARARBRXRBRARGRXRG
SCHEMBL29827631 0.82 RARB (0.81) RXRARARBRXRBRARGRXRG
SCHEMBL8460878 0.81 RXRA (0.70) RXRARARBRXRBRARGRXRG
Hydrochloric Acid SCHEMBL9120757 0.80 RARB (0.78) RXRARARBRXRBRARGRXRG
SCHEMBL7723496 0.80 RXRA (0.76) RXRARARBRXRBRARGRXRG
Hydrazine SCHEMBL9430381 0.79 RARB (0.76) RXRARARBRXRBRARGRXRG
SCHEMBL8310066 0.74 RXRA (0.57) RXRARARBRXRBRARGRXRG

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
EP-0963981-A1 Biaryl heterocyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof Galderma Research & Development, S.N.C. (FR) 1999-12-15 EP disclosed