SCHEMBL8310237

SCHEMBL8310237

CCCCOCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.50
PRSS1 P07477 8/20 0.50
PRSS2 P07478 8/20 0.50
PRSS3 P35030 8/20 0.50
CHRNA1 P02708 4/20 0.48
CHRNG P07510 4/20 0.48
CHRNB1 P11230 4/20 0.48
CHRND Q07001 4/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
BCHE P06276 1/20 0.46
PLAU P00749 1/20 0.44
TLR2 O60603 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
SCHEMBL8310244 0.90 PLG (0.49) PLGPRSS1PRSS2PRSS3CHRNA1
SCHEMBL8875868 0.90 PLG (0.53) PLGPRSS1PRSS2PRSS3L3MBTL1
SCHEMBL7362758 0.87 GAA (0.48) PLGPRSS1PRSS2PRSS3CHRNA1
SCHEMBL7356539 0.87 L3MBTL1 (0.47) PLGPRSS1PRSS2PRSS3CHRNA1
SCHEMBL7356782 0.83 GRIA1 (0.48) CHRNA1CHRNGCHRNB1CHRNDL3MBTL1
SCHEMBL8306010 0.82 MMP8 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7358942 0.82 KMT2A (0.53) L3MBTL1
SCHEMBL7363911 0.81 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL7353908 0.81 LAP3 (0.50) L3MBTL1
SCHEMBL7363069 0.80 PLG (0.52) PLGPRSS1PRSS2PRSS3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed