SCHEMBL8562602

SCHEMBL8562602

C=Cc1cccc(C(=O)O)c1-c1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.35
RARA P10276 17/20 0.35
RARG P13631 16/20 0.35
RXRA P19793 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
BACE1 P56817 1/20 0.31

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
SCHEMBL8666325 0.80 RARB (0.34) RARBRARARARGRXRANR2E1
SCHEMBL8333424 0.79 RARA (0.48) RARBRARARARGRXRANR2E1
SCHEMBL8333421 0.79 RARA (0.48) RARBRARARARGRXRANR2E1
SCHEMBL8664382 0.76 RARB (0.44) RARBRARARARGRXRANR2E1
SCHEMBL8561974 0.76 RARB (0.54) RARBRARARARGRXRANR2E1
SCHEMBL8666328 0.75 RARA (0.36) RARBRARARARGRXRANR2E1
SCHEMBL6818882 0.73 RARB (0.48) RARBRARARARGRXRANR2E1
SCHEMBL6238701 0.72 RARA (0.60) RARBRARARARGRXRANR2E1
SCHEMBL6238706 0.72 RARA (0.60) RARBRARARARGRXRANR2E1
SCHEMBL8331635 0.72 PDK2 (0.46) RARBRARARARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed