SCHEMBL6242201

SCHEMBL6242201

Cc1cc(-c2cc3c(c([N+](=O)[O-])c2C)C(C)(C)CCC3(C)C)ccc1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 4/20 0.53
RARG P13631 7/20 0.39
RXRA P19793 8/20 0.39
RARB P10826 5/20 0.39
RARA P10276 3/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL6242646 0.93 HNF4A (0.56) HNF4ARARGRXRARARBRARA
SCHEMBL6240429 0.92 HNF4A (0.52) HNF4ARARGRXRARARBALDH1A1
SCHEMBL6242642 0.79 HNF4A (0.68) HNF4ARARGRXRARARBRARA
SCHEMBL6242100 0.79 HNF4A (0.49) HNF4ARARGRXRARARBRARA
SCHEMBL6240434 0.79 HNF4A (0.59) HNF4ARARGRXRARARBRARA
SCHEMBL6242482 0.78 HNF4A (0.44) HNF4ARARGRXRARARBRARA
SCHEMBL6242159 0.77 HNF4A (0.48) HNF4ARARGRXRARARBRARA
SCHEMBL6239480 0.77 RARG (0.49) RARGRXRARARBRARAALDH1A1
SCHEMBL6240611 0.76 RXRA (0.47) HNF4ARARGRXRARARBRARA
SCHEMBL6238072 0.76 HNF4A (0.63) HNF4ARARGRXRARARBRARA

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
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed