SCHEMBL6985979

SCHEMBL6985979

COc1ccc(OC(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
HIF1A Q16665 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL10866251 0.88 MAPT (0.46) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL6608601 0.87 MGLL (0.49) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL5849169 0.86 EPHX2 (0.50) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL13690596 0.85 MAPT (0.48) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL26821619 0.84 SMN1; SMN2 (0.54) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL16215508 0.83 ALDH1A1 (0.55) GAAMAPTALDH1A1EPHX2LMNA
SCHEMBL13690601 0.82 HPGD (0.49) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL7423521 0.82 ELANE (0.44) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL18360424 0.82 CA2 (0.51) GAAMAPTALDH1A1HPGDKDM4E
SCHEMBL7423516 0.81 ELANE (0.43) GAAMAPTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed