SCHEMBL3963532

SCHEMBL3963532

COc1ccc(CC(=O)N(CC(=O)O)C(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.52
LDHA P00338 1/20 0.51
GAA P10253 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
MAPK1 P28482 1/20 0.46
PSMB5 P28074 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3959908 0.86 ALDH1A1 (0.54) LDHAGAAALDH1A1LMNAHTT
SCHEMBL30049382 0.77 GAA (0.74) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL153055 0.77 GAA (0.74) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL10948188 0.76 LMNA (0.56) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL27952523 0.76 GAA (0.72) CA5ALDHAGAANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2530820 0.76 GAA (0.72) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL3959911 0.75 LDHA (0.51) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL10594988 0.74 ALDH1A1 (0.52) LDHANPSR1ALDH1A1LMNAHTT
SCHEMBL1515840 0.74 LMNA (0.54) CA5ALDHAGAANPSR1ALDH1A1
SCHEMBL11003187 0.74 APP (0.55) LDHAGAANPSR1ALDH1A1LMNA

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
EP-2079708-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES Bayer HealthCare AG (DE) 2009-07-22 EP disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 WO disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed