SCHEMBL6813830

SCHEMBL6813830

CC(C)(C)C#CC1=CCC(C)(C)c2ccc(C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.74
RARB P10826 18/20 0.62
RARG P13631 18/20 0.62
RXRA P19793 1/20 0.62
NR2E1 Q9Y466 1/20 0.62

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
SCHEMBL6813827 1.00 RARA (0.74) RARARARBRARGRXRANR2E1
SCHEMBL6810960 0.89 RARA (0.59) RARARARBRARGRXRANR2E1
SCHEMBL6810956 0.89 RARA (0.59) RARARARBRARGRXRANR2E1
SCHEMBL3690042 0.85 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL3690047 0.85 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL29374587 0.85 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL6813825 0.84 RARA (0.53) RARARARBRARGRXRA
SCHEMBL7800463 0.83 RARA (0.85) RARARARBRARGRXRANR2E1
SCHEMBL7800467 0.83 RARA (0.85) RARARARBRARGRXRANR2E1
SCHEMBL7811806 0.82 RARA (0.83) 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