SCHEMBL4748762

SCHEMBL4748762

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC22A12 Q96S37 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 4/20 0.43
MMP3 P08254 2/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL667009 1.00 GAA (0.48) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL11707781 0.88 GAA (0.49) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL7047747 0.84 MMP2 (0.51) GAASMN1; SMN2SLC22A12ALDH1A1MMP2
SCHEMBL21057155 0.83 GAA (0.59) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL2830293 0.83 GAA (0.59) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL667373 0.83 ALDH1A1 (0.44) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL6230292 0.83 ALDH1A1 (0.44) GAASMN1; SMN2SLC22A12MAPTALDH1A1
SCHEMBL4744796 0.80 GAA (0.55) GAAMAPTALDH1A1RAB9APKM
SCHEMBL666862 0.80 GAA (0.55) GAAMAPTALDH1A1RAB9APKM
SCHEMBL666935 0.80 MGLL (0.44) GAASMN1; SMN2SLC22A12MAPTALDH1A1

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