SCHEMBL7159298

SCHEMBL7159298

CCCCCCCOc1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.49
HNF4A P41235 5/20 0.49
PPARG P37231 1/20 0.47
NR1H3 Q13133 1/20 0.47
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL6914142 0.80 RXRA (0.45) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6874366 0.79 RXRA (0.49) RXRAHNF4APPARGNR1H3THRA
SCHEMBL6915028 0.79 RXRA (0.49) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6479338 0.78 RXRA (0.47) RXRAHNF4APPARGNR1H3THRA
SCHEMBL13240539 0.78 THRA (0.43) RXRAPPARGTHRATHRB
SCHEMBL6032593 0.77 RXRA (0.47) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6917087 0.76 RXRA (0.51) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6913948 0.76 RXRA (0.57) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6917792 0.76 RXRA (0.57) RXRAHNF4APPARGNR1H3RARA
SCHEMBL6472792 0.75 RXRA (0.48) RXRAHNF4APPARGNR1H3RARA

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-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed