SCHEMBL6236924

SCHEMBL6236924

CC1(C)CCC(C)(C)c2cc(-c3ccc(C(=O)c4ccccc4C(=O)O)cc3)c(-c3ccccc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.59
ATM Q13315 1/20 0.59
RXRA P19793 15/20 0.59
RARB P10826 8/20 0.59
RARG P13631 7/20 0.59
RARA P10276 4/20 0.56
RXRB P28702 4/20 0.56
RXRG P48443 4/20 0.56
AKR1C3 P42330 2/20 0.50
HNF4A P41235 1/20 0.49

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
SCHEMBL6241850 0.93 RXRA (0.55) CDC25BATMRXRARARBRARG
SCHEMBL6244136 0.91 RXRA (0.62) CDC25BATMRXRARARBRARG
SCHEMBL6243030 0.90 RXRA (0.55) CDC25BATMRXRARARBRARG
SCHEMBL6242986 0.89 RXRA (0.50) CDC25BATMRXRARARBRARG
SCHEMBL6239474 0.88 RXRA (0.50) CDC25BATMRXRARARBRARG
SCHEMBL6239175 0.85 RXRA (0.67) CDC25BATMRXRARARBRARG
SCHEMBL6243489 0.84 RXRA (0.48) CDC25BATMRXRARARBRARG
SCHEMBL29440075 0.83 RXRA (0.68) CDC25BRXRARARBRARGRARA
SCHEMBL2128581 0.83 RXRA (0.68) CDC25BRXRARARBRARGRARA
SCHEMBL6243129 0.83 RXRA (0.55) RXRARARBRARGRARARXRB

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