SCHEMBL8900859

SCHEMBL8900859

O=C(O)c1cc(OCc2ccc(-c3ccccc3)cc2)cc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
NR4A2 P43354 6/20 0.62
SMPD1 P17405 1/20 0.62
MRGPRX4 Q96LA9 1/20 0.58
NR4A1 P22736 2/20 0.58
NR4A3 Q92570 2/20 0.58
FFAR1 O14842 1/20 0.57
GSTP1 P09211 1/20 0.56
P2RY14 Q15391 1/20 0.56
SRD5A2 P31213 2/20 0.55
PTGER4 P35408 1/20 0.55
PTGES O14684 1/20 0.54
ALOX5 P09917 1/20 0.54
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
MCL1 Q07820 1/20 0.54
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL27585892 0.91 MEN1 (0.77) MEN1KMT2ANR4A2SMPD1MRGPRX4
SCHEMBL862870 0.90 MEN1 (0.93) MEN1KMT2ANR4A2SMPD1MRGPRX4
SCHEMBL31141980 0.90 MEN1 (0.79) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1426961 0.86 MEN1 (1.00) MEN1KMT2ANR4A2SMPD1MRGPRX4
SCHEMBL18687040 0.86 MEN1 (0.74) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL16320242 0.86 NR4A2 (0.71) MEN1KMT2ANR4A2MRGPRX4NR4A1
SCHEMBL28493306 0.86 MEN1 (0.64) MEN1KMT2ANR4A2SMPD1NR4A1
SCHEMBL1756343 0.85 NR4A2 (0.81) NR4A2NR4A1NR4A3FFAR1GSTP1
SCHEMBL5582767 0.85 NR4A2 (0.81) NR4A2NR4A1NR4A3FFAR1GSTP1
SCHEMBL8900334 0.85 SMPD1 (0.60) MEN1KMT2ANR4A2SMPD1FFAR1

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