SCHEMBL8311698

SCHEMBL8311698

CC1(C)CCC(C)(C)c2cc(C(=O)Sc3ccc(C(=O)O)cc3CBr)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.52
RARB P10826 12/20 0.52
RARG P13631 11/20 0.52
RXRB P28702 10/20 0.52
RXRG P48443 7/20 0.52
RARA P10276 9/20 0.52
CYP26A1 O43174 4/20 0.52
CYP26B1 Q9NR63 2/20 0.52
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL8312104 0.85 RXRA (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL9869267 0.84 RXRA (0.53) RXRARARBRARGRXRBRXRG
SCHEMBL846110 0.78 RARB (0.81) RXRARARBRARGRXRBRXRG
SCHEMBL29827631 0.78 RARB (0.81) RXRARARBRARGRXRBRXRG
SCHEMBL8460878 0.77 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL8315054 0.77 RXRA (0.52) RXRARARBRARGRXRBRXRG
Hydrochloric Acid SCHEMBL9120757 0.76 RARB (0.78) RXRARARBRARGRXRBRXRG
Hydrazine SCHEMBL9430381 0.75 RARB (0.76) RXRARARBRARGRXRBRXRG
SCHEMBL8839140 0.74 RXRA (0.65) RXRARARBRARGRXRBRXRG
SCHEMBL8312210 0.74 RXRA (0.32) RXRACYP26A1CYP26B1CYP3A4

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