SCHEMBL9681276

SCHEMBL9681276

CC(C)N(OCc1ccccc1)C(=O)CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.40
ALOX5 P09917 3/20 0.40
TSHR P16473 1/20 0.40
LTA4H P09960 1/20 0.40
FPR1 P21462 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC25B P30305 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3971721 0.86 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL3972244 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1ALOX5SLC6A3
SCHEMBL27293207 0.78 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL3209123 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL8392857 0.75 EGFR (0.46) KMT2AMEN1ALDH1A1SLC6A2SLC6A3
SCHEMBL28343493 0.73 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL4973395 0.73 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL1913624 0.73 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1ALOX5
SCHEMBL8900203 0.72 ALOX5 (0.45) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL2944484 0.71 L3MBTL1 (0.50) L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3106856-A None JP disclosed
CN-1038508-C Herbicidal heteroaryloxyacetamides BAYER AG (DE) 1998-05-27 CN disclosed
CN-1085900-A Heteroaryloxyacetamides BAYER AG (DE) 1994-04-27 CN disclosed
EP-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP disclosed
JP-H03106856-A HYDROXYACETIC ACID ARALKYLOXYAMIDE DERIVATIVE AND ANTIMICROBIAL AGENT FOR AGRICULTURE AND HORTICULTURE HOKKO CHEM IND CO LTD 1991-05-07 JP disclosed