SCHEMBL6827930

SCHEMBL6827930

CC(C)[C@@H](NC(=O)CCc1ccccc1)P(=O)(O)CC(CCCCN)C(=O)O

nearest known ligand 0.98

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.98
CPA1 P15085 6/20 0.58
CPA2 P48052 6/20 0.58
CPA4 Q9UI42 6/20 0.58
ERAP2 Q6P179 3/20 0.49
ERAP1 Q9NZ08 3/20 0.49
LNPEP Q9UIQ6 1/20 0.49
F2 P00734 3/20 0.46
MMP3 P08254 1/20 0.44
F10 P00742 1/20 0.44
LAP3 P28838 3/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
ANPEP P15144 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL6824349 1.00 CPB2 (0.98) CPB2CPA1CPA2CPA4ERAP2
SCHEMBL6827926 1.00 CPB2 (0.98) CPB2CPA1CPA2CPA4ERAP2
SCHEMBL6824195 0.99 CPB2 (1.00) CPB2CPA1CPA2CPA4ERAP2
SCHEMBL14542979 0.99 CPB2 (1.00) CPB2CPA1CPA2CPA4ERAP2
SCHEMBL14509143 0.90 CPB2 (0.83) CPB2CPA1CPA2CPA4MMP3
SCHEMBL6827315 0.83 CPB2 (0.70) CPB2MMP3
SCHEMBL6827149 0.81 CPB2 (0.67) CPB2CPA1CPA2CPA4F2
SCHEMBL6827927 0.81 CPB2 (0.67) CPB2CPA1CPA2CPA4F2
SCHEMBL6827300 0.81 CPB2 (0.67) CPB2CPA1CPA2CPA4F2
SCHEMBL6824289 0.81 CPB2 (0.67) CPB2CPA1CPA2CPA4F2

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-6737416-B2 THROMBOLYTIC AGENT HAVING HIGHER SAFETY MEIJI SEIKA KAISHA LTD. (JP) 2004-05-18 US claimed