SCHEMBL8310387

SCHEMBL8310387

CC1(C)CCC(=O)c2cc3c(cc21)C(C)(C)CCC3(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.36
RARB P10826 6/20 0.36
RXRG P48443 5/20 0.36
RARG P13631 5/20 0.36
RXRB P28702 4/20 0.36
RARA P10276 3/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
USP7 Q93009 1/20 0.35
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
GRM5 P41594 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL8809982 0.85 HIF1A (0.41) RXRARARBRXRGRARGRXRB
SCHEMBL14052885 0.81 RXRA (0.39) RXRARARBRARGRARAFNTA
SCHEMBL7624438 0.78 PBRM1 (0.44) RXRARARBRXRGRARGRXRB
SCHEMBL4278897 0.78 LMNA (0.44) RXRARARBRARGRARAGRM5
SCHEMBL4508684 0.77 ESR1 (0.38) RXRARARBRXRGRARGRXRB
SCHEMBL5649035 0.77 CES1 (0.37) RXRARARBRXRGRARGRXRB
SCHEMBL8807738 0.77 MEN1 (0.49) FNTAFNTBUSP7GRM5HIF1A
SCHEMBL6992256 0.76 ALDH1A1 (0.42) GRM5HIF1AEPAS1
SCHEMBL5648628 0.76 PGR (0.49) GRM5
SCHEMBL6915238 0.76 MEN1 (0.51) GRM5HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933351-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
EP-0638071-B1 HETEROCYCLIC CARBONIC ACID DERIVATIVES WHICH BIND TO RETINOID RECEPTORS (RAR) EISAI CO LTD (JP) 1997-04-09 EP disclosed
US-5612356-A RETINOID ANTAGONISTS EISAI CO., LTD. (JP) 1997-03-18 US disclosed
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed
WO-1994014777-A1 HETEROCYCLIC CARBONIC ACID DERIVATIVES WHICH BIND TO RETINOID RECEPTORS (RAR) EISAI CO., LTD. (JP) 1994-07-07 WO disclosed