SCHEMBL6816008

SCHEMBL6816008

CC(C)SC1=CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.64
RARB P10826 17/20 0.64
RARG P13631 16/20 0.64
RXRA P19793 1/20 0.64
NR2E1 Q9Y466 1/20 0.64

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
SCHEMBL6810969 0.88 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL8028110 0.86 RARA (0.58) RARARARBRARGRXRANR2E1
SCHEMBL6293941 0.84 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL6293940 0.84 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL6294021 0.83 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL6294022 0.83 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL6816012 0.83 RARB (0.52) RARARARBRARGRXRANR2E1
SCHEMBL8032218 0.83 RARA (0.68) RARARARBRARGRXRANR2E1
SCHEMBL8026328 0.81 RARA (0.72) RARARARBRARGRXRANR2E1
SCHEMBL6294007 0.79 RARA (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115687-B1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2004-05-26 EP disclosed
US-6194601-B1 USEFUL IN TREATMENT OF SKIN DISORDERS SUCH AS ACNE AND DAMAGE FROM AGE OR IRRADIATION; CHRONIC SKIN INFLAMMATORY INFLAMMATORY DISEASES SUCH AS PSORIASIS AND ATOPIC DERMATITIS; ANTITUMOR AGENTS FOR BREAST CANCER, LUNG CANCER; NONTOXIC BRISTOL-MYERS SQUIBB COMPANY 2001-02-27 US disclosed