SCHEMBL8005485

SCHEMBL8005485

CCOc1cc2c(cc1C1CC1CC=CC(C)=C(CC)C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 6/20 0.43
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
HNF4A P41235 8/20 0.41
HTR2C P28335 1/20 0.32

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
SCHEMBL8011713 0.91 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL8009347 0.86 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL6916817 0.84 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL6915982 0.82 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL8005479 0.82 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL6915152 0.81 RXRA (0.36) RXRARXRBRXRGRARARARB
SCHEMBL7735872 0.78 RXRA (0.52) RXRARXRBRXRGRARARARB
SCHEMBL7735871 0.78 RXRA (0.52) RXRARXRBRXRGRARARARB
SCHEMBL7732340 0.75 RXRA (0.45) RXRARXRBRXRGRARARARB
SCHEMBL7732336 0.75 RXRA (0.45) RXRARXRBRXRGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000026173-A1 NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (DE) 2000-05-11 WO disclosed
US-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 US disclosed