SCHEMBL8563082

SCHEMBL8563082

C=COC(=O)c1ccccc1-c1cccc2c1C(Sc1ccccc1)=CCC2(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
NR2E1 Q9Y466 1/20 0.30

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
SCHEMBL8562260 0.80 NPC1 (0.30)
SCHEMBL8559151 0.74 RARA (0.32) RARARARBRARGRXRANR2E1
SCHEMBL8559149 0.74 RARA (0.32) RARARARBRARGRXRANR2E1
SCHEMBL8892652 0.70 RARA (0.33) RARARARBRARGRXRANR2E1
SCHEMBL6297112 0.70 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL6297114 0.70 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL6292782 0.70 RARB (0.38) RARARARBRARGRXRANR2E1
SCHEMBL19506917 0.70 CYP3A4 (0.46)
SCHEMBL6596837 0.69 RARB (0.38) RARARARBRARGRXRANR2E1
SCHEMBL8649900 0.66 RARB (0.37) 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