SCHEMBL382544

SCHEMBL382544

CCc1nc(-c2ccc(OCCO)c(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c2)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 0.67
RARB P10826 15/20 0.67
RARA P10276 14/20 0.67
KMO O15229 1/20 0.36
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL382652 0.85 RARG (0.80) RARGRARBRARA
Trifarotene SCHEMBL381493 0.81 RARG (1.00) RARGRARBRARA
SCHEMBL382411 0.80 RARG (0.98) RARGRARBRARA
SCHEMBL382275 0.79 RARG (0.77) RARGRARBRARAKMOMAP4K4
SCHEMBL382381 0.79 RARG (0.67) RARGRARBRARA
SCHEMBL29763755 0.78 RARG (0.81) RARGRARBRARA
SCHEMBL382535 0.78 RARG (0.75) RARGRARBRARAKDM4EALDH1A1
SCHEMBL382843 0.77 RARG (1.00) RARGRARBRARA
SCHEMBL16737001 0.77 RARG (0.70) RARGRARBRARAALDH1A1PTPN11
SCHEMBL27337609 0.77 RARG (0.85) RARGRARBRARA

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-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP claimed