SCHEMBL8008022

SCHEMBL8008022

COc1cc2c(cc1C(C=O)C1CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.39
RARB P10826 4/20 0.36
RARG P13631 4/20 0.36
RXRB P28702 4/20 0.36
RXRG P48443 4/20 0.36
RARA P10276 3/20 0.36
HNF4A P41235 3/20 0.32
POLA1 P09884 2/20 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
SCHEMBL8008412 0.86 RXRA (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL8888371 0.83 RXRA (0.42) RXRARARBRARGRXRBRXRG
SCHEMBL8915164 0.80 HNF4A (0.38) RXRAHNF4A
SCHEMBL12715260 0.74 RXRA (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL7996389 0.72 RXRA (0.46) RXRARARBRARGRXRBRXRG
SCHEMBL21045985 0.71 SLC6A2 (0.40)
SCHEMBL11248197 0.71 RXRA (0.41) RXRARARBRARGRXRBRXRG
SCHEMBL15348324 0.71 RXRA (0.51) RXRARARBRARGRXRBRXRG
Acetaldehyde SCHEMBL8008018 0.70 RXRA (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL7713216 0.69 ALDH1A1 (0.55) RXRARARBRARGRXRBRXRG

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 1 patent. 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