SCHEMBL7388965

SCHEMBL7388965

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CNR2 P34972 1/20 0.37
TACR3 P29371 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SOAT1 P35610 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
TNF P01375 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5701087 1.00 POLB (0.42) POLBKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL5700926 0.86 POLB (0.43) POLBKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL5700931 0.86 POLB (0.43) POLBKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL5700994 0.82 TSHR (0.41) POLBKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL5700998 0.82 TSHR (0.41) POLBKMT2AMEN1SMN1; SMN2CNR2
SCHEMBL5700869 0.79 KMT2A (0.44) POLBKMT2AMEN1SMN1; SMN2TACR3
SCHEMBL5700864 0.79 KMT2A (0.44) POLBKMT2AMEN1SMN1; SMN2TACR3
SCHEMBL4029008 0.79 TSHR (0.41) POLBKMT2AMEN1CNR2TACR3
SCHEMBL4029006 0.79 TSHR (0.41) POLBKMT2AMEN1CNR2TACR3
SCHEMBL5700932 0.76 MEN1 (0.60) POLBKMT2AMEN1SMN1; SMN2TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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