SCHEMBL4268752

SCHEMBL4268752

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.67
CA2 P00918 18/20 0.67
CA4 P22748 7/20 0.67
CA12 O43570 4/20 0.67
CA9 Q16790 4/20 0.67
HDAC1 Q13547 1/20 0.58
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL4272357 1.00 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL15499792 0.93 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL4365925 0.93 HDAC1 (0.65) CA1CA2CA4CA12CA9
SCHEMBL9974560 0.91 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL23135490 0.86 CA1 (0.53) CA1CA2CA4CA12CA9
SCHEMBL9170624 0.86 CA1 (0.53) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.85 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL19663826 0.85 CA1 (0.70) CA1CA2CA4CA12CA9
SCHEMBL9639810 0.85 HDAC1 (0.59) CA1CA2HDAC1KDM4ETSHR
SCHEMBL5310831 0.84 HDAC1 (0.56) CA1CA2CA4CA12CA9

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
US-7605146-B2 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2009-10-20 US claimed
EP-1199312-A2 Process for producing an amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP claimed
EP-0413405-A2 Use of amide complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-20 EP claimed
US-7605146-B2 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2009-10-20 US disclosed
EP-1199312-A2 Process for producing an amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP disclosed
EP-0413405-A2 Use of amide complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-20 EP disclosed