SCHEMBL8308916

SCHEMBL8308916

CC1(C)CCC(C)(C)c2cc3c(cc21)CCC=C3CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.48
RXRG P48443 5/20 0.48
RXRB P28702 4/20 0.48
CYP26A1 O43174 9/20 0.42
CYP26B1 Q9NR63 8/20 0.39
RARA P10276 2/20 0.36
RARB P10826 4/20 0.36
RARG P13631 2/20 0.36
CYP3A4 P08684 1/20 0.36
HNF4A P41235 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
SCHEMBL8450973 0.78 MPO (0.33) RXRARXRGRXRB
SCHEMBL6913577 0.78 RXRA (0.60) RXRARXRGRXRBRARARARB
SCHEMBL7922871 0.77 RXRA (0.39) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL6037047 0.76 RXRA (0.52) RXRARXRGRXRBRARARARB
SCHEMBL6037045 0.76 RXRA (0.52) RXRARXRGRXRBRARARARB
SCHEMBL10078298 0.75 MPO (0.52)
SCHEMBL6037052 0.72 RXRA (0.34) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL6037056 0.72 RXRA (0.34) RXRARXRGRXRBCYP26A1CYP26B1
SCHEMBL8973409 0.72 TDP1 (0.41)
SCHEMBL3452288 0.71 MPO (0.67) CYP26A1

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