SCHEMBL7213540

SCHEMBL7213540

CCCOc1cc2c(cc1/C=C/C=C/C(=C\C(=O)O)CC)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.56
RXRG P48443 9/20 0.56
RXRB P28702 8/20 0.56
RARA P10276 3/20 0.56
RARB P10826 3/20 0.56
RARG P13631 3/20 0.56
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
HNF4A P41235 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7213542 1.00 RXRA (0.56) RXRARXRGRXRBRARARARB
SCHEMBL7208488 0.88 RXRA (0.71) RXRARXRGRXRBRARARARB
SCHEMBL7208727 0.88 RXRA (0.71) RXRARXRGRXRBRARARARB
SCHEMBL7208494 0.88 RXRA (0.71) RXRARXRGRXRBRARARARB
SCHEMBL7061862 0.82 RXRA (0.63) RXRARXRGRXRBRARARARB
SCHEMBL7212158 0.82 RXRA (0.63) RXRARXRGRXRBRARARARB
SCHEMBL7061866 0.82 RXRA (0.63) RXRARXRGRXRBRARARARB
SCHEMBL8594730 0.80 RXRA (0.55) RXRARXRGRXRBRARARARB
SCHEMBL8594092 0.80 RXRA (0.55) RXRARXRGRXRBRARARARB
SCHEMBL8594062 0.80 RXRA (0.55) RXRARXRGRXRBRARARARB

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
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US claimed