SCHEMBL8650814

SCHEMBL8650814

O=C(O)c1ccc(/C=C/c2ccc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.60
TSHR P16473 3/20 0.53
SRD5A2 P31213 2/20 0.47
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
ALDH1A1 P00352 1/20 0.46
FBP1 P09467 1/20 0.45
BACE1 P56817 1/20 0.44
SRD5A1 P18405 1/20 0.44
ALOX15 P16050 1/20 0.44
LTB4R Q15722 1/20 0.44
KMT2A Q03164 1/20 0.42
TP53 P04637 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
SCHEMBL8899988 1.00 TTR (0.60) TTRTSHRSRD5A2RARARARB
SCHEMBL8650815 1.00 TTR (0.60) TTRTSHRSRD5A2RARARARB
SCHEMBL5692715 0.89 TTR (0.72) TTRRARARARBRARGBACE1
SCHEMBL5692713 0.89 TTR (0.72) TTRRARARARBRARGBACE1
SCHEMBL5750731 0.83 CYP1A1 (0.54) TTRALDH1A1FBP1KMT2A
SCHEMBL5253903 0.83 CYP1A1 (0.54) TTRALDH1A1FBP1KMT2A
SCHEMBL5253901 0.83 CYP1A1 (0.54) TTRALDH1A1FBP1KMT2A
SCHEMBL5692936 0.81 TTR (0.51) TTRRARARARBRARGKMT2A
SCHEMBL5692938 0.81 TTR (0.51) TTRRARARARBRARGKMT2A
SCHEMBL16687965 0.81 ALDH1A1 (0.56) TTRTSHRSRD5A2RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767268-A TREATMENT OF DISORDERS CHARACTERIZED BY EXCESSIVE OR DESTRUCTIVE PROLIFERATION OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-06-16 US claimed
US-5767268-A TREATMENT OF DISORDERS CHARACTERIZED BY EXCESSIVE OR DESTRUCTIVE PROLIFERATION OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-06-16 US disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0741139-A1 Sulphuric acid esters of amino sugars F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed