SCHEMBL7703658

SCHEMBL7703658

CC(C)(C)OC(=O)N1C(=O)C(CC#Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.38
KLK7 P49862 5/20 0.37
STS P08842 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
KLK5 Q9Y337 4/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
RIPK1 Q13546 1/20 0.34
PTPN11 Q06124 1/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
RORC P51449 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
SCHEMBL7703661 1.00 AGTR2 (0.38) AGTR2KLK7STSGPR119KLK5
SCHEMBL31486428 0.81 KLK7 (0.49) KLK7STSKLK5PRSS1PRSS2
SCHEMBL8669568 0.81 KLK7 (0.49) KLK7STSKLK5PRSS1PRSS2
SCHEMBL5065670 0.81 KLK7 (0.49) KLK7STSKLK5PRSS1PRSS2
SCHEMBL7698258 0.81 HSD17B10 (0.33) KLK7STSKDM4E
SCHEMBL7698260 0.81 HSD17B10 (0.33) KLK7STSKDM4E
SCHEMBL6494880 0.78 KLK7 (0.36) KLK7KLK5KDM4EPRSS1PRSS2
SCHEMBL7699900 0.78 KLK7 (0.43) KLK7STSGPR119KLK5KDM4E
SCHEMBL7790063 0.77 FKBP1A (0.41) KLK7
SCHEMBL7790201 0.77 FKBP1A (0.40) KLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed