SCHEMBL8309629

SCHEMBL8309629

CC1CC(=O)c2cc3c(cc21)C(C)(C)CCC3(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.36
RXRA P19793 12/20 0.35
RXRG P48443 6/20 0.35
RXRB P28702 5/20 0.35
RARG P13631 7/20 0.35
RARB P10826 6/20 0.35
HSD17B1 P14061 2/20 0.32
ACHE P22303 2/20 0.32
ESR1 P03372 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
CYP26A1 O43174 1/20 0.31
ABCB11 O95342 1/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL6908201 0.72 ACHE (0.53) RARARXRARXRGRXRBRARB
SCHEMBL8809982 0.71 HIF1A (0.41) RARARXRARXRGRXRBRARG
SCHEMBL3061673 0.69 RXRA (0.39) RARARXRARXRGRXRBRARG
SCHEMBL31294415 0.68 RARA (0.36) RARARXRARXRGRXRBRARG
SCHEMBL3081827 0.68 KDM4E (0.59) HSD17B1ACHEKMT2A
SCHEMBL3079250 0.68 KDM4E (0.59) HSD17B1ACHEKMT2A
SCHEMBL3069771 0.68 KDM4E (0.59) HSD17B1ACHEKMT2A
SCHEMBL6913758 0.68 MAOA (0.42) RARARXRARXRGRXRBRARG
SCHEMBL8810467 0.67 CDC25B (0.41) RARARXRARXRGRXRBRARG
Hydrochloric Acid SCHEMBL4219941 0.67 RARA (0.33) RARARXRARXRGRXRBRARG

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 4 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
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