SCHEMBL4747181

SCHEMBL4747181

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MGLL Q99685 2/20 0.45
HTR2A P28223 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 1/20 0.40

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
SCHEMBL667900 1.00 BCL9 (0.50) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL655939 0.83 PPARG (0.57) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL15511229 0.82 KMT2A (0.40) BCL9CTNNB1ALDH1A1MAPTL3MBTL1
SCHEMBL11711497 0.79 MEN1 (0.54) BCL9CTNNB1ALDH1A1MAPTHTR2A
SCHEMBL1139037 0.78 MGLL (0.51) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL4653937 0.77 GAA (0.46) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL8082689 0.77 GAA (0.46) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL8082686 0.77 GAA (0.46) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL3629791 0.77 SMN1; SMN2 (0.56) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL4745136 0.76 MGLL (0.44) ALDH1A1MAPTMGLLRAB9AGAA

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