SCHEMBL7996044

SCHEMBL7996044

COc1cc2c(cc1C1(C(C)O)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.43
RXRB P28702 6/20 0.40
RXRG P48443 5/20 0.40
RARA P10276 4/20 0.40
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
ALOX5 P09917 1/20 0.38
HNF4A P41235 2/20 0.33
ALOX15 P16050 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP26B1 Q9NR63 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
SCHEMBL8008139 0.83 RXRA (0.47) RXRARXRBRXRGRARARARB
SCHEMBL6917447 0.81 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL7997833 0.78 RXRA (0.43) RXRARXRBRXRGRARARARB
SCHEMBL6915028 0.78 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL15348324 0.76 RXRA (0.51) RXRARXRBRXRGRARARARB
SCHEMBL12715260 0.73 RXRA (0.43) RXRARXRBRXRGRARARARB
SCHEMBL11248197 0.70 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL7996046 0.70 RXRA (0.42) RXRARXRBRXRGRARARARB
SCHEMBL8293241 0.70 RXRA (0.51) RXRARXRBRXRGRARARARB
SCHEMBL7713197 0.69 RXRA (0.41) 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