SCHEMBL6977356

SCHEMBL6977356

CCS(=O)(=O)Nc1cccc(OC(=O)CN)c1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 7/20 0.35
PSIP1 O75475 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KCNA5 P22460 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
GRM6 O15303 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL6984005 0.80 PSIP1 (0.47) MRGPRX1PSIP1HPGDKDM4EALDH1A1
SCHEMBL6984974 0.77 SLC6A3 (0.40) HPGDKDM4EALDH1A1EPHX2SLC7A5
SCHEMBL6981189 0.77 SLC7A5 (0.37) HPGDKDM4EALDH1A1MAPTGRM6
SCHEMBL6984597 0.77 KMT2A (0.42) HPGDKDM4EALDH1A1MAPTGRM6
SCHEMBL6984281 0.74 SMN1; SMN2 (0.36) HPGDKDM4EALDH1A1GRM6EPHX2
SCHEMBL6723581 0.71 ELANE (0.44) HPGDKDM4EALDH1A1MAPTSLC7A5
SCHEMBL6986429 0.71 MCHR1 (0.39) HPGDALDH1A1LMNA
SCHEMBL6984283 0.70 SLC7A5 (0.38) KDM4EALDH1A1GRM6EPHX2SLC7A5
SCHEMBL6582605 0.69 SLC7A5 (0.37) HPGDKDM4EMAPTEPHX2SLC7A5
SCHEMBL6981261 0.69 SLC7A5 (0.37) KDM4EMAPTEPHX2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-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
EP-1289954-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-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096304-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-2001096323-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
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed