SCHEMBL8666325

SCHEMBL8666325

CC1(C)CC=C(OS(=O)(=O)C(F)(F)F)c2cc(-c3cccc(C(=O)O)c3NC=O)ccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.34
RARA P10276 16/20 0.34
RARG P13631 16/20 0.34
BACE1 P56817 1/20 0.34
RXRA P19793 2/20 0.34
NR2E1 Q9Y466 1/20 0.34
MCL1 Q07820 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
SCHEMBL8562602 0.80 RARB (0.35) RARBRARARARGBACE1RXRA
SCHEMBL8664217 0.78 RARB (0.42) RARBRARARARGRXRANR2E1
SCHEMBL8661085 0.78 RARB (0.46) RARBRARARARGRXRANR2E1
SCHEMBL8661311 0.77 RARB (0.43) RARBRARARARGRXRANR2E1
SCHEMBL8665967 0.76 RARB (0.42) RARBRARARARGRXRANR2E1
SCHEMBL8666342 0.76 RARB (0.54) RARBRARARARGRXRANR2E1
SCHEMBL8664382 0.76 RARB (0.44) RARBRARARARGRXRANR2E1
SCHEMBL8667411 0.75 RARB (0.43) RARBRARARARGRXRANR2E1
SCHEMBL8661417 0.75 RARB (0.43) RARBRARARARGRXRANR2E1
SCHEMBL8772764 0.75 RARB (0.33) RARBRARARARGBACE1RXRA

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-5849923-A Heterocyclic-substituted naphthalenyl retinobenzoic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-15 US disclosed