SCHEMBL4748340

SCHEMBL4748340

O=C(O)C[C@H](O)CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.54
MMP13 P45452 2/20 0.54
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
ALOX15 P16050 1/20 0.50
PKM P14618 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KCNA3 P22001 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL665776 1.00 MMP12 (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1139604 0.91 TDP1 (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5498859 0.91 MMP12 (0.67) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1067167 0.90 KCNA3 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1065894 0.88 KCNA3 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1138982 0.88 KCNA3 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1066086 0.88 KCNA3 (0.52) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4403318 0.85 MMP12 (0.47) MMP12MMP13TDP1POLBL3MBTL1
SCHEMBL4257609 0.85 L3MBTL1 (0.60) MMP12MMP13PPARGPPARATDP1
SCHEMBL4655066 0.83 RAB9A (0.50) PKMPPARGPPARATDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO claimed
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP 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
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
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
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