SCHEMBL7546740

SCHEMBL7546740

Cc1cc(OCc2ccccc2Cl)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
STS P08842 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
YAP1 P46937 1/20 0.41

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
SCHEMBL6553561 0.81 CD274 (0.49) KEAP1NFE2L2KMT2AMEN1GPR119
SCHEMBL6553567 0.80 GPR119 (0.42) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL30701904 0.79 MAPT (0.47) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL30701919 0.75 MAPT (0.47) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL11306145 0.74 YAP1 (0.55) STSNAMPTGPR119YAP1
SCHEMBL22391856 0.74 BCL9 (0.46) MAPTSTSGPR119TP53POLB
SCHEMBL3172041 0.74 MAPT (0.57) MAPTKEAP1NFE2L2STSKMT2A
SCHEMBL30563607 0.73 GPR119 (0.65) MAPTSTSKMT2AMEN1LMNA
SCHEMBL8702039 0.73 GPR119 (0.45) MAPTKEAP1NFE2L2STSKMT2A
SCHEMBL7434625 0.73 YAP1 (0.58) STSKMT2AMEN1GPR119YAP1

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-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed