SCHEMBL4745136

SCHEMBL4745136

CCCC(O)[C@@H](Oc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MMP2 P08253 3/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP3 P08254 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL666935 1.00 MGLL (0.44) MGLLALDH1A1MAPTSLC6A3MMP2
SCHEMBL6230292 0.88 ALDH1A1 (0.44) MGLLALDH1A1MAPTMMP2RAB9A
SCHEMBL667373 0.88 ALDH1A1 (0.44) MGLLALDH1A1MAPTMMP2RAB9A
SCHEMBL28057203 0.87 PPARA (0.47) ALDH1A1GAASMN1; SMN2PPARGPPARA
SCHEMBL4748762 0.80 GAA (0.48) ALDH1A1MAPTMMP2RAB9AGAA
SCHEMBL667009 0.80 GAA (0.48) ALDH1A1MAPTMMP2RAB9AGAA
SCHEMBL4273346 0.79 PPARG (0.55) ALDH1A1MMP2HPGDPPARGPPARA
SCHEMBL11707781 0.79 GAA (0.49) ALDH1A1MAPTMMP2RAB9AGAA
SCHEMBL1139006 0.77 PPARG (0.50) MGLLALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL3116875 0.77 SMN1; SMN2 (0.43) ALDH1A1RAB9AHPGDGAASMN1; SMN2

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 6 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