SCHEMBL8311004

SCHEMBL8311004

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
FFAR1 O14842 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
RXRA P19793 2/20 0.36
NQO2 P16083 1/20 0.35

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
SCHEMBL8311006 1.00 ACHE (0.37) ACHEFFAR1MTNR1AMTNR1BRXRA
SCHEMBL8309889 0.88 FFAR1 (0.46) FFAR1RXRA
SCHEMBL8309891 0.88 FFAR1 (0.46) FFAR1RXRA
SCHEMBL8308287 0.81 RXRA (0.35) ACHERXRA
SCHEMBL8312308 0.81 MTNR1A (0.39) MTNR1AMTNR1BNQO2
SCHEMBL6037041 0.73 RXRA (0.52) RXRA
SCHEMBL21293949 0.67 CHRM4 (0.36) RXRA
SCHEMBL6939291 0.65 RXRA (0.36) RXRA
SCHEMBL8308767 0.65 RXRA (0.36) RXRA
SCHEMBL6037055 0.65 RXRA (0.52) RXRA

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 7 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
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed