SCHEMBL4097244

SCHEMBL4097244

O=C(CC(=O)Oc1cccs1)Oc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
POLB P06746 3/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
HDAC1 Q13547 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
DAO P14920 1/20 0.39
GSK3B P49841 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2971231 0.90 MMP1 (0.44) MMP1MMP2MMP9MMP12POLB
SCHEMBL7127285 0.89 MMP1 (0.43) MMP1MMP2MMP9MMP12POLB
SCHEMBL5352083 0.88 MMP1 (0.47) MMP1MMP2MMP9MMP12POLB
SCHEMBL10917302 0.87 MMP1 (0.42) MMP1MMP2MMP9MMP12POLB
SCHEMBL3910846 0.86 MMP1 (0.46) MMP1MMP2MMP9MMP12POLB
SCHEMBL829790 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL3563381 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL525049 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB
SCHEMBL5342899 0.84 ALDH1A1 (0.49) MMP1MMP2MMP9MMP12POLB
SCHEMBL27366584 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240142665-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2024-05-02 US disclosed
EP-4263513-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-10-25 EP disclosed
WO-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 EP disclosed
CN-103402975-B beta-hydroxyalkylamide and resin composition 东洋油墨SC控股株式会社 2016-08-17 CN disclosed
CN-103402975-A Beta-hydroxyalkylamide and resin composition TOYO INK SC HOLDINGS CO LTD 2013-11-20 CN disclosed
CN-102317291-A Fused pyrimidines BAYER SCHERING PHARMA AG 2012-01-11 CN disclosed
US-20090214101-A1 Targeted Nanostructures for Cellular Imaging WILLIAM MARSH RICE UNIVERSITY 2009-08-27 US disclosed
WO-2007143558-A1 TARGETED NANOSTRUCTURES FOR CELLULAR IMAGING WILLIAM MARSH RICE UNIVERSITY (US) 2007-12-13 WO disclosed
US-4418142-A ALDEHYDE SCAVANGERS AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed
US-4072710-A FROM SILYL ESTER AND THIONYL CHLORIDE PALOMO COLL A L 1978-02-07 US disclosed