SCHEMBL8309727

SCHEMBL8309727

CC(C=CC=C1CCCc2c1cc1c(c2[N+](=O)[O-])C(C)(C)CCC1(C)C)=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.46
RXRB P28702 13/20 0.41
RXRG P48443 13/20 0.41
RARG P13631 8/20 0.41
RARB P10826 7/20 0.41
RARA P10276 4/20 0.39
HNF4A P41235 1/20 0.39
PPARG P37231 1/20 0.37

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
SCHEMBL8311020 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8311518 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8309723 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8309720 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8311522 1.00 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8808656 0.85 RXRA (0.39) RXRARXRBRXRGRARGRARB
SCHEMBL8808653 0.85 RXRA (0.39) RXRARXRBRXRGRARGRARB
SCHEMBL8309025 0.82 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8309023 0.82 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL8308682 0.78 RXRA (0.53) RXRARXRBRXRGRARGRARB

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