SCHEMBL6230296

SCHEMBL6230296

N#Cc1ccc(OCC[C@@H](O)CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.59
MMP12 P39900 3/20 0.59
MMP2 P08253 5/20 0.57
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MMP3 P08254 5/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 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
SCHEMBL667374 1.00 MMP13 (0.59) MMP13MMP12MMP2ALDH1A1MAPT
SCHEMBL4864095 0.93 MMP13 (0.58) MMP13MMP12MMP2ALDH1A1MAPT
SCHEMBL667010 0.84 ALDH1A1 (0.55) MMP13MMP12MMP2ALDH1A1MAPT
SCHEMBL4748763 0.84 ALDH1A1 (0.55) MMP13MMP12MMP2ALDH1A1MAPT
SCHEMBL4748340 0.82 MMP12 (0.54) MMP13MMP12MMP2ALDH1A1MMP9
SCHEMBL665776 0.82 MMP12 (0.54) MMP13MMP12MMP2ALDH1A1MMP9
SCHEMBL4257609 0.81 L3MBTL1 (0.60) MMP13MMP12ALDH1A1L3MBTL1POLB
SCHEMBL4403318 0.81 MMP12 (0.47) MMP13MMP12L3MBTL1POLBTDP1
SCHEMBL5965762 0.81 MMP2 (0.50) MMP13MMP12MMP2ALDH1A1MAPT
SCHEMBL5965877 0.80 ALDH1A1 (0.47) MMP13MMP2ALDH1A1MAPTMMP3

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 4 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
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-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