SCHEMBL1196880

SCHEMBL1196880

CC(C)O[C@H](C(=O)O)[C@H](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
SCHEMBL607461 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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161690-A1 PROCESSES FOR THE PREPARATION OF (+)-N,N-DIMETHYL-2-[1-(NAPHTHALENYLOXY) ETHYL] BENZENE METHANAMINE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2011-12-29 WO claimed
WO-1999031353-A1 STABILIZING CLAYEY FORMATIONS SOFITECH N.V. (BE) 1999-06-24 WO claimed
EP-0512222-B1 Stereo and enantioselective synthesis of tetrahydro-5-substituted-3-methylene-2-furanmethanols AMERICAN CYANAMID CO (US) 1996-02-21 EP claimed
EP-0540807-B1 Asymmetric synthesis of 3-substituted furanoside compounds AMERICAN CYANAMID CO (US) 1995-12-27 EP claimed
US-5216145-A Conensation, reduction, epoxidation, ring opening, oxidation, hydrogenation, alcoholysis AMERICAN CYANAMID COMPANY (US) 1993-06-01 US claimed
EP-0540807-A1 Asymmetric synthesis of 3-substituted furanoside compounds AMERICAN CYANAMID COMPANY (US) 1993-05-12 EP claimed
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
WO-2023025248-A1 STEROID COMPOUND AND CONJUGATE THEREOF 映恩生物制药(苏州)有限公司 2023-03-02 WO disclosed
EP-2890415-B1 CHLORHEXIDINE GLUCONATE COMPOSITIONS, RESIN SYSTEMS AND ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2020-09-23 EP disclosed
US-20200030499-A1 CHLORHEXIDINE GLUCONATE COMPOSITIONS RESIN SYSTEMS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-01-30 US disclosed
US-10456509-B2 Chlorhexidine gluconate compositions, resin systems and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-10-29 US disclosed
US-20190160209-A1 CHLORHEXIDINE GLUCONATE COMPOSITIONS, RESIN SYSTEMS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-30 US disclosed
US-10232093-B2 Chlorhexidine gluconate compositions, resin systems and article 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-03-19 US disclosed
US-5296620-A Hexenol derivatives as intermediates for compounds for treatment of AIDS virus infections AMERICAN CYANAMID COMPANY (US) 1994-03-22 US disclosed
EP-0338600-B1 PROCESS FOR THE PREPARATION OF PROLINOLAMIDE DERIVATIVES MERCK & CO. INC. (US) 1993-06-02 EP disclosed
US-5216145-A Conensation, reduction, epoxidation, ring opening, oxidation, hydrogenation, alcoholysis AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed
EP-0540807-A1 Asymmetric synthesis of 3-substituted furanoside compounds AMERICAN CYANAMID COMPANY (US) 1993-05-12 EP disclosed
US-5175335-A Reacting vinyl aryl compounds with a source of hydrocyanic acid in presence of nickle zero valent compound and nonracemic bidentate organophosphorus ligand E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-29 US disclosed
US-5087703-A 2-Methyl-4-hydroxy-5-protected hydroxy-hept-6-en-prolinolamides MERCK & CO., INC. (US) 1992-02-11 US disclosed
EP-0338600-A1 Process for the preparation of prolinolamide derivatives MERCK & CO. INC. (US) 1989-10-25 EP disclosed