SCHEMBL4745347

SCHEMBL4745347

O=C(O)C[C@H](O)CCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 12/20 0.80
MMP13 P45452 10/20 0.80
MMP2 P08253 1/20 0.80
MMP9 P14780 1/20 0.80
MMP14 P50281 1/20 0.80
DPP4 P27487 1/20 0.63
TRPA1 O75762 2/20 0.54
KEAP1 Q14145 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
SCHEMBL687094 1.00 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8333817 1.00 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11294724 0.91 MMP12 (0.68) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613354 0.89 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28009949 0.89 MMP12 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1063147 0.89 MMP12 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3877196 0.87 TRPA1 (0.71) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5498859 0.86 MMP12 (0.67) MMP12MMP13MMP2MMP9MMP14
SCHEMBL16320515 0.85 TRPA1 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613402 0.85 MMP12 (0.91) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP claimed
CN-1194098-C Method for producing hydroxycarboxylic acids by auto-degradation of polyhydroxyalkanoates KEROBIO LTD (KR) 2005-03-23 CN claimed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US claimed
CN-1301310-A Method for producing hydroxycarboxylic acid by self-degradation of polyhydroxyalkanoate KEROBIO LTD (KR) 2001-06-27 CN claimed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP claimed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO claimed
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO disclosed
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP disclosed
CN-1194098-C Method for producing hydroxycarboxylic acids by auto-degradation of polyhydroxyalkanoates KEROBIO LTD (KR) 2005-03-23 CN disclosed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US disclosed
CN-1301310-A Method for producing hydroxycarboxylic acid by self-degradation of polyhydroxyalkanoate KEROBIO LTD (KR) 2001-06-27 CN disclosed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP disclosed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO disclosed