SCHEMBL6236530

SCHEMBL6236530

CCOc1cc2c(c(F)c1-c1ccc(C(=O)c3ccccc3C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.57
HNF4A P41235 10/20 0.57
LMNA P02545 1/20 0.50
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
SSTR5 P35346 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL6239175 0.82 RXRA (0.67) RXRAHNF4ALMNARARARARB
SCHEMBL6243783 0.77 HNF4A (0.60) RXRAHNF4ARARARARBRARG
SCHEMBL6242094 0.75 HNF4A (0.57) RXRAHNF4ALMNARARARARB
SCHEMBL6243129 0.75 RXRA (0.55) RXRAHNF4ALMNARARARARB
SCHEMBL6914152 0.73 RXRA (1.00) RXRAHNF4ARARARARBRARG
SCHEMBL6242408 0.73 RXRA (0.59) RXRAHNF4ALMNARARGHCRTR1
SCHEMBL6240826 0.73 RXRA (0.58) RXRAHNF4ALMNARARARARB
SCHEMBL6239279 0.72 RXRA (0.58) RXRAHNF4ARARARARBRARG
SCHEMBL6242707 0.72 RXRA (0.50) RXRAHNF4ALMNARARARARB
SCHEMBL6241850 0.72 RXRA (0.55) 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-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO claimed
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed