SCHEMBL6942679

SCHEMBL6942679

CCCCCC(COc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(SC=O)(SC=O)CCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
PLA2G4B P0C869 7/20 0.39
RXRA P19793 2/20 0.39
HNF4A P41235 2/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
RARB P10826 5/20 0.35
RARA P10276 2/20 0.35
RARG P13631 2/20 0.35
PLA2G4A P47712 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6944154 0.92 RARB (0.39) CYP26A1CYP3A4CYP26B1TP53TSHR
SCHEMBL6144565 0.91 CYP26A1 (0.46) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL4847037 0.84 CYP26A1 (0.46) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL6146889 0.83 RARA (0.38) CYP26A1CYP3A4CYP26B1TSHRRARB
SCHEMBL4842332 0.81 CYP26A1 (0.55) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL6146459 0.78 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL6144279 0.78 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL6144103 0.78 CYP26A1 (0.71) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA
SCHEMBL4847717 0.76 CYP3A4 (0.38) CYP26A1CYP3A4CYP26B1RXRAHNF4A
SCHEMBL6144179 0.76 CYP26A1 (0.50) CYP26A1CYP3A4CYP26B1PLA2G4BRXRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP claimed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO claimed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO disclosed