SCHEMBL8664433

SCHEMBL8664433

CC1(C)CC=C(c2cncnc2)c2cc(C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.58
RARG P13631 19/20 0.58
RARA P10276 18/20 0.58
RXRA P19793 1/20 0.58
NR2E1 Q9Y466 1/20 0.58

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
SCHEMBL7807980 0.91 RARB (0.54) RARBRARGRARARXRANR2E1
SCHEMBL7807984 0.89 RARA (0.76) RARBRARGRARARXRANR2E1
SCHEMBL7807976 0.89 RARA (0.76) RARBRARGRARARXRANR2E1
SCHEMBL8981781 0.88 RARA (0.77) RARBRARGRARARXRANR2E1
SCHEMBL8771650 0.84 RARB (0.77) RARBRARGRARARXRANR2E1
SCHEMBL8661314 0.83 RARB (0.47) RARBRARGRARARXRANR2E1
SCHEMBL6238148 0.82 RARB (0.77) RARBRARGRARARXRANR2E1
SCHEMBL8043795 0.82 RARB (0.58) RARBRARGRARARXRANR2E1
SCHEMBL7807096 0.81 RARB (0.45) RARBRARGRARARXRANR2E1
SCHEMBL7807099 0.79 RARB (0.60) RARBRARGRARARXRANR2E1

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 3 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 disclosed
EP-0736530-A2 Retinoid-like heterocycles Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
US-5559248-A FOR PREVENTION AND TREATMENT OF SKIN DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1996-09-24 US disclosed