SCHEMBL8900042

SCHEMBL8900042

O=C(O)c1ccc(/C=C\c2ccc(C(=O)O)cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.56
NPC1 O15118 1/20 0.54
MTOR P42345 1/20 0.54
KDM1A O60341 2/20 0.48
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
TTR P02766 4/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FBP1 P09467 1/20 0.45
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
HDAC1 Q13547 1/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL8900814 1.00 APP (0.56) APPNPC1MTORKDM1ARARA
SCHEMBL9097106 1.00 APP (0.56) APPNPC1MTORKDM1ARARA
SCHEMBL5693297 0.89 NPC1 (0.63) APPNPC1MTORKDM1ARARA
SCHEMBL5693299 0.89 NPC1 (0.63) APPNPC1MTORKDM1ARARA
SCHEMBL16687965 0.81 ALDH1A1 (0.56) RARARARBRARGTTRPTPN2
SCHEMBL16687973 0.80 RARA (0.51) APPRARARARBRARGTTR
SCHEMBL11824841 0.79 RARA (0.61) RARARARBRARGTTRALDH1A1
SCHEMBL8899988 0.79 TTR (0.60) RARARARBRARGTTRALDH1A1
SCHEMBL8650814 0.79 TTR (0.60) RARARARBRARGTTRALDH1A1
SCHEMBL8650815 0.79 TTR (0.60) RARARARBRARGTTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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