SCHEMBL7996046

SCHEMBL7996046

COc1cc2c(cc1C1(CCO)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.42
ALOX15 P16050 1/20 0.40
RARA P10276 7/20 0.39
RARB P10826 7/20 0.39
RARG P13631 7/20 0.39
RXRG P48443 6/20 0.39
RXRB P28702 4/20 0.39
HNF4A P41235 3/20 0.35
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8008143 0.85 RXRA (0.47) RXRARARARARBRARGRXRG
SCHEMBL6917451 0.82 RXRA (0.46) RXRARARARARBRARGRXRG
SCHEMBL6915032 0.79 RXRA (0.47) RXRARARARARBRARGRXRG
SCHEMBL7997835 0.79 RXRA (0.50) RXRARARARARBRARGRXRG
SCHEMBL8421087 0.77 RXRA (0.41) RXRAALOX15RARARARBRARG
SCHEMBL15348324 0.75 RXRA (0.51) RXRAALOX15RARARARBRARG
SCHEMBL11220334 0.73 ALOX15 (0.51) RXRAALOX15RARARARBRARG
SCHEMBL7735393 0.70 RXRA (0.73) RXRARARARARBRARGRXRG
SCHEMBL7735391 0.70 RXRA (0.73) RXRARARARARBRARGRXRG
SCHEMBL7996044 0.70 RXRA (0.43) RXRAALOX15RARARARBRARG

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