SCHEMBL8015602

SCHEMBL8015602

CCC(C(=O)O)=C(C)C=CCC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.69
RXRG P48443 11/20 0.69
RARB P10826 4/20 0.69
RARG P13631 4/20 0.69
RARA P10276 3/20 0.69
RXRB P28702 8/20 0.46
CYP26A1 O43174 5/20 0.43
CYP3A4 P08684 1/20 0.43
PPARG P37231 1/20 0.43
CYP26B1 Q9NR63 5/20 0.42

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
SCHEMBL7723065 0.81 RXRA (1.00) RXRARXRGRARBRARGRARA
SCHEMBL7723063 0.81 RXRA (1.00) RXRARXRGRARBRARGRARA
SCHEMBL6917149 0.78 RXRA (0.51) RXRARXRGRARBRARGRARA
SCHEMBL6908853 0.77 RXRA (0.46) RXRARXRGRARBRARGRARA
SCHEMBL7732097 0.77 RXRA (1.00) RXRARXRGRARBRARGRARA
SCHEMBL7732095 0.77 RXRA (1.00) RXRARXRGRARBRARGRARA
SCHEMBL8015596 0.77 RXRA (0.74) RXRARXRGRARBRARGRARA
SCHEMBL6915807 0.76 RXRA (0.47) RXRARXRGRARBRARGRARA
SCHEMBL8015943 0.75 RXRA (0.71) RXRARXRGRARBRARGRARA
SCHEMBL8419189 0.75 RXRA (0.67) RXRARXRGRARBRARGRARA

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