SCHEMBL9822422

SCHEMBL9822422

COCC=C(c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.49
RXRB P28702 8/20 0.49
RXRG P48443 6/20 0.49
RARB P10826 7/20 0.42
RARG P13631 7/20 0.42
RARA P10276 6/20 0.42
CYP26A1 O43174 6/20 0.42
CYP3A4 P08684 5/20 0.41
CYP26B1 Q9NR63 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL9822434 0.81 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL9822386 0.76 RXRA (0.68) RXRARXRBRXRGRARBRARG
Sumarotene SCHEMBL7062910 0.73 RARG (0.70) RXRARXRBRXRGRARBRARG
Sumarotene SCHEMBL449752 0.73 RARG (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL9822438 0.72 CYP26A1 (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL9822432 0.72 CYP26A1 (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL7062909 0.71 RARG (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL9822470 0.70 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL9822584 0.69 PTGS2 (0.39)
Linarotene SCHEMBL636726 0.68 HNF4A (0.51) RXRARXRBRARBRARGRARA

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-0297995-B1 POLYCYCLIC AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND ANIMAL MEDICINE AND IN COSMETICS L'OREAL (FR) 1991-03-06 EP claimed