SCHEMBL8667338

SCHEMBL8667338

CC1(C)CC=C(c2nccs2)c2cc(C(=O)c3cccc(C(=O)O)c3N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 19/20 0.44
RARA P10276 18/20 0.44
RARG P13631 17/20 0.44
RXRA P19793 1/20 0.41
NR2E1 Q9Y466 1/20 0.41

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
SCHEMBL8667415 0.85 RARB (0.45) RARBRARARARGRXRANR2E1
SCHEMBL8666345 0.85 RARB (0.62) RARBRARARARGRXRANR2E1
SCHEMBL8661089 0.84 RARB (0.50) RARBRARARARGRXRANR2E1
SCHEMBL8664218 0.82 RARB (0.46) RARBRARARARGRXRANR2E1
SCHEMBL8661419 0.81 RARB (0.48) RARBRARARARGRXRANR2E1
SCHEMBL8661314 0.81 RARB (0.47) RARBRARARARGRXRANR2E1
SCHEMBL8331013 0.81 RARB (0.59) RARBRARARARGRXRANR2E1
SCHEMBL8664492 0.79 RARB (0.65) RARBRARARARGRXRANR2E1
SCHEMBL8665970 0.79 RARA (0.46) RARBRARARARGRXRANR2E1
SCHEMBL7049910 0.78 RARA (0.52) RARBRARARARGRXRANR2E1

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