SCHEMBL8799407

SCHEMBL8799407

Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.56
THRB P10828 9/20 0.56
HSPB1 P04792 2/20 0.41
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SNCA P37840 1/20 0.36

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
SCHEMBL8800150 0.86 MAPT (0.47) THRATHRBHSPB1MEN1MAPT
SCHEMBL8801787 0.82 THRB (0.58) THRATHRB
SCHEMBL6661827 0.80 THRA (0.40) THRATHRBHSPB1MEN1POLB
SCHEMBL4965063 0.80 THRA (0.47) THRATHRBHSPB1MEN1LMNA
SCHEMBL4963110 0.80 THRA (0.47) THRATHRBHSPB1MEN1LMNA
SCHEMBL4965143 0.78 HSPB1 (0.41) THRATHRBHSPB1MEN1LMNA
SCHEMBL23983024 0.78 THRA (0.60) THRATHRB
SCHEMBL4964919 0.77 THRB (0.72) THRATHRB
SCHEMBL6622195 0.76 THRB (0.69) THRATHRB
SCHEMBL6622191 0.76 THRB (0.69) THRATHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 US disclosed
US-5401772-A Anticholesterol agents with aromatic amines CIBA-GEIGY CORPORATION (US) 1995-03-28 US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 EP disclosed