SCHEMBL8666328

SCHEMBL8666328

CC1(C)CC=C(OS(=O)(=O)C(F)(F)F)c2cc(C(=O)c3cccc(C(=O)O)c3N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.36
RARB P10826 16/20 0.36
RARG P13631 15/20 0.36
RXRA P19793 2/20 0.36
NR2E1 Q9Y466 1/20 0.36
HNF4A P41235 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8664382 0.85 RARB (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8682496 0.80 RARA (0.46) RARARARBRARGRXRANR2E1
SCHEMBL8682491 0.80 RARA (0.46) RARARARBRARGRXRANR2E1
SCHEMBL6292935 0.80 PDK2 (0.45) RARARARBRARGRXRANR2E1
SCHEMBL6818882 0.79 RARB (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8981637 0.77 RARA (0.60) RARARARBRARGRXRANR2E1
SCHEMBL6238706 0.77 RARA (0.60) RARARARBRARGRXRANR2E1
SCHEMBL6238701 0.77 RARA (0.60) RARARARBRARGRXRANR2E1
SCHEMBL7800461 0.77 RARB (0.61) RARARARBRARG
SCHEMBL8331013 0.76 RARB (0.59) 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-5849923-A Heterocyclic-substituted naphthalenyl retinobenzoic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-15 US disclosed