SCHEMBL5700879

SCHEMBL5700879

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
TNF P01375 1/20 0.38
KCNA5 P22460 3/20 0.37
ABCB1 P08183 1/20 0.36
OPRK1 P41145 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5700881 1.00 MAPT (0.40) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL5700987 0.80 MAPT (0.38) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL5701005 0.79 MAPT (0.35) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL5701026 0.76 ALDH1A1 (0.51) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL6497055 0.74 MAPT (0.45) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL8298418 0.74 MAPT (0.45) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL5700864 0.73 KMT2A (0.44) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL5700869 0.73 KMT2A (0.44) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL6321159 0.72 L3MBTL1 (0.51) MAPTRAB9AALDH1A1HTTKDM4E
SCHEMBL4033350 0.71 CYP2D6 (0.32) MAPTRAB9AALDH1A1HTT

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