SCHEMBL607461

SCHEMBL607461

CC(C)OC(C(=O)O)C(OC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 2/20 0.36
SLC7A5 Q01650 2/20 0.35
HCAR2 Q8TDS4 1/20 0.33
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL1196679 1.00 TP53 (0.42) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL1196880 1.00 TP53 (0.42) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL26940411 0.88 MMP1 (0.46) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL29342143 0.88 MMP1 (0.46) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL13143752 0.82 SLC1A3 (0.43) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL26940424 0.80 ALDH1A1 (0.42) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL11337345 0.79 TP53 (0.40) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL15279752 0.78 RNPEP (0.41) SLC1A3SLC1A2MMP1MMP2MMP3
SCHEMBL2348726 0.78 MMP1 (0.31) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL10591095 0.76 SLC1A3 (0.48) TP53SLC1A3SLC1A2SLC1A1MMP1

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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP claimed
EP-3152269-B1 INK COMPOSITION HEWLETT PACKARD DEVELOPMENT CO (US) 2021-08-04 EP claimed
CN-109503674-A 2- fluoro digitoxose and its preparation method and application 江西师范大学 2019-03-22 CN claimed
CN-109503681-A 2-Fluoro-L-ristosamine compound and its synthetic method and application 江西师范大学 2019-03-22 CN claimed
CN-104592026-B A kind of compound, catalytic component and its catalyst 中国石油化工股份有限公司 2017-08-25 CN claimed
CN-104418863-B The method that parithenolide is prepared by raw material of costunolide 天津尚德药缘科技股份有限公司 2017-08-01 CN claimed
CN-106414626-A Ink composition 惠普发展公司,有限责任合伙企业 2017-02-15 CN claimed
CN-104447443-B A kind of Apremilast and the preparation method of intermediate thereof 新发药业有限公司 2016-07-27 CN claimed
CN-104610062-A Compound, catalyst composition, and catalyst CHINA PETROLEUM & CHEMICAL 2015-05-13 CN claimed
CN-104592026-A Compound, catalyst component and catalyst CHINA PETROLEUM & CHEMICAL 2015-05-06 CN claimed
EP-0977730-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.p.A. (IT) 2000-02-09 EP claimed
WO-1998047863-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.P.A. (IT) 1998-10-29 WO claimed
EP-0674618-B1 ASYMMETRIC PROCESS FOR PREPARING FLORFENICOL, THIAMPHENICOL, CHLORAMPHENICOL AND OXAZOLINE INTERMEDIATES SCHERING CORP (US) 1998-09-09 EP claimed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP claimed
WO-1998001410-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ANTHRACYCLINONES AND INTERMEDIATES THEREOF A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-01-15 WO claimed
EP-0515142-B1 Optically active epoxides and a process for the production thereof CHISSO CORP (JP) 1996-10-23 EP claimed
EP-0674618-A1 ASYMMETRIC PROCESS FOR PREPARING FLORFENICOL, THIAMPHENICOL, CHLORAMPHENICOL AND OXAZOLINE INTERMEDIATES SCHERING CORPORATION (US) 1995-10-04 EP claimed
US-5352832-A Asymmetric process for preparing florfenicol, thiamphenicol chloramphenicol and oxazoline intermediates SCHERING CORPORATION (US) 1994-10-04 US claimed
WO-1994014764-A1 ASYMMETRIC PROCESS FOR PREPARING FLORFENICOL, THIAMPHENICOL, CHLORAMPHENICOL AND OXAZOLINE INTERMEDIATES SCHERING CORPORATION (US) 1994-07-07 WO claimed
EP-0258032-B1 PROCESSES AND INTERMEDIATES FOR N-(S-3-ALKYLHEPTANOYL)-D-GAMMA-GLUTAMYL-GLYCYL-D-ALANINE PFIZER INC. (US) 1992-07-29 EP claimed