SCHEMBL8008143

SCHEMBL8008143

CCOc1cc2c(cc1C1(CCO)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.47
HNF4A P41235 9/20 0.47
RARA P10276 4/20 0.44
RARB P10826 4/20 0.44
RARG P13631 4/20 0.44
RXRG P48443 3/20 0.44
RXRB P28702 2/20 0.44
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL6917451 0.89 RXRA (0.46) RXRAHNF4ARARARARBRARG
SCHEMBL6915032 0.85 RXRA (0.47) RXRAHNF4ARARARARBRARG
SCHEMBL7996046 0.85 RXRA (0.42) RXRAHNF4ARARARARBRARG
SCHEMBL8008409 0.78 RXRA (0.46) RXRAHNF4ARARARARBRARG
SCHEMBL6910139 0.77 RXRA (0.47) RXRAHNF4ARARARARBRARG
SCHEMBL7997835 0.76 RXRA (0.50) RXRARARARARBRARGRXRG
SCHEMBL8008139 0.73 RXRA (0.47) RXRAHNF4ARARARARBRARG
SCHEMBL6915039 0.73 RXRA (0.48) RXRAHNF4ARARARARBRARG
SCHEMBL4859743 0.72 RXRA (0.51) RXRAHNF4ARARARARBRARG
SCHEMBL7723187 0.72 RXRA (0.70) RXRAHNF4ARARARARBRARG

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