SCHEMBL4744796

SCHEMBL4744796

CC(O)[C@@H](Oc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
PPARG P37231 8/20 0.49
PPARA Q07869 8/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 1/20 0.44
ADRB3 P13945 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL666862 1.00 GAA (0.55) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL8846721 0.86 PPARG (0.62) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL17904962 0.86 PPARG (0.62) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL8935857 0.86 PPARG (0.62) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL11322441 0.85 CYP1A2 (0.53) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL1933913 0.85 CYP1A2 (0.53) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL4401878 0.85 ALDH1A1 (0.51) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL27450538 0.84 GAA (0.55) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL2167153 0.83 CYP1A2 (0.52) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL9763206 0.82 PPARA (0.51) GAACYP1A2CYP2C9PKMCYP2C19

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 10 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
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
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