SCHEMBL8875868

SCHEMBL8875868

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.53
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PLAU P00749 1/20 0.51
PTPN1 P18031 2/20 0.48
PTPRA P18433 1/20 0.48
GRIA1 P42261 3/20 0.48
TLR2 O60603 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
KLKB1 P03952 1/20 0.47
NAAA Q02083 2/20 0.46

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
SCHEMBL8310237 0.90 PLG (0.50) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL8875880 0.90 PLG (0.51) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL7356782 0.89 GRIA1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7363069 0.88 PLG (0.52) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL7363911 0.87 CHRNA1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL8306010 0.86 MMP8 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7358942 0.85 KMT2A (0.53) L3MBTL1MEN1KMT2A
SCHEMBL7353908 0.85 LAP3 (0.50) L3MBTL1MEN1KMT2A
SCHEMBL7362758 0.85 GAA (0.48) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL7356539 0.84 L3MBTL1 (0.47) PLGPRSS1PRSS2PRSS3CHRNB2

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
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed