SCHEMBL2939205

SCHEMBL2939205

CC1(C)CCSc2ccc(-c3cc(-c4ccc(OC(=O)O)cc4)ccc3-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.45
RARG P13631 17/20 0.45
RXRA P19793 5/20 0.45
RARA P10276 16/20 0.41
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7784294 0.92 RARB (0.45) RARBRARGRXRARARAMAPT
SCHEMBL2910869 0.86 RARB (0.59) RARBRARGRXRARARACYP26A1
SCHEMBL7792837 0.86 RARB (0.60) RARBRARGRXRARARA
SCHEMBL7794287 0.86 RARB (0.60) RARBRARGRXRARARA
SCHEMBL5847344 0.85 RARB (0.56) RARBRARGRXRARARACYP26A1
SCHEMBL7784309 0.84 RARB (0.60) RARBRARGRXRARARACYP26A1
SCHEMBL7793751 0.78 RARG (0.58) RARBRARGRXRARARA
SCHEMBL7792842 0.78 RARG (0.56) RARBRARGRXRARARA
SCHEMBL7793750 0.78 RARB (0.47) RARBRARGRXRARARAMAPT
SCHEMBL7793745 0.78 RARB (0.46) RARBRARGRXRARARAMAPT

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-1255543-B1 USE OF RETINOID-TYPE COMPOUNDS AS ANTIBACTERIAL AGENTS AGAINST STAPHYLOCOCCUS AUREUS GALDERMA RES & DEV (FR) 2010-09-01 EP claimed