SCHEMBL5701005

SCHEMBL5701005

COCCON(C(C)=O)[C@H](CC(=O)OC)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
TNF P01375 1/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 2/20 0.32
KCNA5 P22460 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL5700879 0.79 MAPT (0.40) MAPTRAB9AF2F10PRSS1
SCHEMBL5700881 0.79 MAPT (0.40) MAPTRAB9AF2F10PRSS1
SCHEMBL5700987 0.71 MAPT (0.38) MAPTRAB9AF2F10PRSS1
SCHEMBL5701026 0.70 ALDH1A1 (0.51) MAPTRAB9AF2F10PRSS1
SCHEMBL6497055 0.69 MAPT (0.45) MAPTRAB9AF2F10PRSS1
SCHEMBL8298418 0.69 MAPT (0.45) MAPTRAB9AF2F10PRSS1
SCHEMBL5700931 0.68 POLB (0.43) MAPTRAB9AF2F10PRSS1
SCHEMBL5700926 0.68 POLB (0.43) MAPTRAB9AF2F10PRSS1
SCHEMBL5700864 0.67 KMT2A (0.44) MAPTRAB9AF2F10PRSS1
SCHEMBL5700869 0.67 KMT2A (0.44) MAPTRAB9AF2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed