SCHEMBL8561897

SCHEMBL8561897

C=COC(=O)c1ccc(-c2ccc3c(c2)C(S(=O)(=O)c2ccccc2)=CCC3(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.40
RARB P10826 18/20 0.40
RARG P13631 17/20 0.40
RXRA P19793 3/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL6363055 0.75 RARA (0.60) RARARARBRARGRXRANR2E1
SCHEMBL8562260 0.74 NPC1 (0.30)
SCHEMBL6420934 0.74 RARA (0.49) RARARARBRARG
SCHEMBL8903103 0.74 RARA (0.52) RARARARBRARG
SCHEMBL8902592 0.73 RARA (0.67) RARARARBRARGRXRANR2E1
SCHEMBL6294083 0.71 RARA (0.68) RARARARBRARGRXRANR2E1
SCHEMBL8772736 0.71 RARB (0.38) RARARARBRARGRXRANR2E1
SCHEMBL8634040 0.69 RARA (0.32) RARARARBRARGRXRANR2E1
SCHEMBL6294123 0.69 GAA (0.31) RARARARBRARGRXRANR2E1
SCHEMBL8634037 0.69 RARA (0.32) RARARARBRARGRXRANR2E1

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
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed