SCHEMBL8637704

SCHEMBL8637704

COC=C(C(=O)O)c1ccccc1SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPRG P23470 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8960857 1.00 KMT2A (0.53) KMT2AL3MBTL1MEN1HTTKDM4E
SCHEMBL8127162 0.91 KMT2A (0.48) KMT2AL3MBTL1MEN1HTTKDM4E
SCHEMBL8127164 0.91 KMT2A (0.48) KMT2AL3MBTL1MEN1HTTKDM4E
SCHEMBL9333449 0.88 CYP1A2 (0.49) KMT2AL3MBTL1MEN1KDM4ELMNA
SCHEMBL9333434 0.88 CYP1A2 (0.49) KMT2AL3MBTL1MEN1KDM4ELMNA
SCHEMBL9336203 0.84 KMT2A (0.38) KMT2AL3MBTL1MEN1KDM4ELMNA
SCHEMBL9336192 0.84 KMT2A (0.38) KMT2AL3MBTL1MEN1KDM4ELMNA
SCHEMBL9333392 0.84 PPARG (0.39) KMT2AL3MBTL1MEN1LMNAMAPK1
SCHEMBL9333403 0.84 PPARG (0.39) KMT2AL3MBTL1MEN1LMNAMAPK1
SCHEMBL9335907 0.83 PTPRG (0.41) KMT2AL3MBTL1MEN1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694029-B1 NOVEL METHOD FOR PREPARING BETA-ALKOXY ACRYLIC ACID ROUSSEL UCLAF (FR) 1998-07-29 EP disclosed
EP-0694029-A1 NOVEL METHOD FOR PREPARING BETA-ALKOXY ACRYLIC ACID ROUSSEL UCLAF (FR) 1996-01-31 EP disclosed
WO-1994024085-A1 NOVEL METHOD FOR PREPARING β-ALKOXY ACRYLIC ACID ROUSSEL UCLAF (FR) 1994-10-27 WO disclosed
US-5264609-A Etherification and hydrolysis SCHERING AGROCHEMICALS LIMITED (GB) 1993-11-23 US disclosed