SCHEMBL8309891

SCHEMBL8309891

CC1(C)CCC(C)(C)c2cc3c(cc21)CCC[C@@H]3CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
PPARD Q03181 8/20 0.41
PPARA Q07869 2/20 0.40
RXRA P19793 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8309889 1.00 FFAR1 (0.46) FFAR1PPARDPPARARXRAPPARG
SCHEMBL8311004 0.88 ACHE (0.37) FFAR1RXRA
SCHEMBL8311006 0.88 ACHE (0.37) FFAR1RXRA
SCHEMBL8308287 0.82 RXRA (0.35) RXRA
SCHEMBL8312308 0.82 MTNR1A (0.39)
SCHEMBL6037041 0.77 RXRA (0.52) RXRAPPARG
SCHEMBL8884747 0.76 MTNR1A (0.61) PPARD
SCHEMBL3404726 0.76 ESR1 (0.51) FFAR1PPARD
SCHEMBL3406693 0.76 ESR1 (0.51) FFAR1PPARD
SCHEMBL3745076 0.76 ESR1 (0.51) FFAR1PPARD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
US-5770382-A RETINOIC ACID AND RETINOID X RECEPTOR AGONISTS; TREATINGSKIN, EYE, BRAIN, AND CARDIOVASCULAR DISORDERS; CANCER LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770378-A A VITAMINE A METABOLITE, POTENT DRUGS TREATING SKIN DISEASES, CANCER, EYE DISEASES, CARDIOVASCULAR DISORDERS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
US-5770383-A ACTIVATE RETINOID RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1998-06-23 US disclosed
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed