SCHEMBL5700987

SCHEMBL5700987

COC(=O)C[C@H](c1ccc(N)cc1)N(C)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 7/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
F10 P00742 1/20 0.37
TNF P01375 1/20 0.37
HTT P42858 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNA5 P22460 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
GRIA4 P48058 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ABCB1 P08183 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
DHFR P00374 1/20 0.33

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 0.80 MAPT (0.40) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL5700881 0.80 MAPT (0.40) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL5701026 0.74 ALDH1A1 (0.51) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL5700980 0.73 MAPT (0.39) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL6321159 0.73 L3MBTL1 (0.51) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL8298418 0.72 MAPT (0.45) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL6497055 0.72 MAPT (0.45) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL5701005 0.71 MAPT (0.35) MAPTRAB9AALDH1A1F2PRSS1
SCHEMBL16681724 0.68 CHRNB2 (0.53) MAPTALDH1A1KDM4EKCNA5SMN1; SMN2
SCHEMBL9995389 0.68 CHRNB2 (0.53) MAPTALDH1A1KDM4EKCNA5SMN1; SMN2

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 4 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
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed