SCHEMBL8312185

SCHEMBL8312185

CC1(C)CCC(C)(C)c2cc3c(cc21)OCC/C3=C\C=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.32
RARA P10276 4/20 0.32
RXRG P48443 2/20 0.32
NR4A2 P43354 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RARB P10826 2/20 0.31
RXRB P28702 1/20 0.31
RARG P13631 1/20 0.30

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
SCHEMBL8312187 1.00 RXRA (0.32) RXRARARARXRGNR4A2ALOX5
SCHEMBL8312125 0.79
SCHEMBL8312128 0.79
SCHEMBL8308387 0.77 RXRA (0.51) RXRARARARXRGRARBRXRB
SCHEMBL8308385 0.77 RXRA (0.51) RXRARARARXRGRARBRXRB
SCHEMBL8308391 0.77 RXRA (0.51) RXRARARARXRGRARBRXRB
SCHEMBL8309065 0.77 RXRA (0.51) RXRARARARXRGRARBRXRB
SCHEMBL8309070 0.77 RXRA (0.51) RXRARARARXRGRARBRXRB
SCHEMBL2194526 0.77 MAOB (0.46) RXRARARARXRG
SCHEMBL8308926 0.74 RXRA (0.33) RXRARARARXRGRARBRXRB

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