SCHEMBL6239480

SCHEMBL6239480

CC1(C)CCC(C)(C)c2cc(-c3cccc([N+](=O)[O-])c3)c(-c3ccc(C(=O)OC(=O)c4ccccc4)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 3/20 0.49
RARB P10826 2/20 0.49
RXRA P19793 2/20 0.49
HIF1A Q16665 1/20 0.46
RARA P10276 1/20 0.45
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC2 Q92769 1/20 0.43
TP53 P04637 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
NQO2 P16083 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL6236927 0.88 RARB (0.58) RARGRARBRXRARARARXRB
SCHEMBL6239474 0.83 RXRA (0.50) RARGRARBRXRARARARXRB
SCHEMBL6242646 0.81 HNF4A (0.56) RARGRARBRXRARARARXRB
SCHEMBL6241853 0.81 RARB (0.53) RARGRARBRXRARARARXRB
SCHEMBL6244138 0.79 RXRA (0.60) RARGRARBRXRARARARXRB
SCHEMBL6243033 0.78 RARB (0.53) RARGRARBRXRARARARXRB
SCHEMBL6242100 0.77 HNF4A (0.49) RARGRARBRXRARARARXRB
SCHEMBL6242987 0.77 RARB (0.49) RARGRARBRXRARARARXRB
SCHEMBL6242482 0.77 HNF4A (0.44) RARGRARBRXRAHIF1ARARA
SCHEMBL6242201 0.77 HNF4A (0.53) RARGRARBRXRARARARXRB

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