SCHEMBL7320171

SCHEMBL7320171

CC(C)C[C@H](NC(CCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)N(C(N)=O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.41
CPA2 P48052 2/20 0.41
CPA4 Q9UI42 2/20 0.41
ERAP1 Q9NZ08 8/20 0.40
ERAP2 Q6P179 7/20 0.40
LNPEP Q9UIQ6 5/20 0.40
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
KLK8 O60259 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
KLK2 P20151 1/20 0.38
KLK4 Q9Y5K2 1/20 0.38
IL1RN P18510 2/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL7324109 0.92 CPA1 (0.39) CPA1CPA2CPA4ERAP1ERAP2
SCHEMBL6412346 0.89 CPA1 (0.45) CPA1CPA2CPA4ERAP1ERAP2
SCHEMBL7323541 0.85 ANPEP (0.38) CPA1CPA2CPA4MMEECE1
SCHEMBL7328790 0.82 SLC1A3 (0.44) MMEECE1ACE2
SCHEMBL7309270 0.82 CTSL (0.46) CPA1CPA2CPA4MMEECE1
SCHEMBL7329474 0.82 CTSL (0.46) CPA1CPA2CPA4MMEECE1
SCHEMBL7309259 0.82 CTSL (0.46) CPA1CPA2CPA4MMEECE1
SCHEMBL7316834 0.82 CPA1 (0.40) CPA1CPA2CPA4ERAP1ERAP2
SCHEMBL7323423 0.82 TACR3 (0.36) ANPEPLTA4HMMP2MMP9
SCHEMBL7321472 0.82 CA12 (0.37) CPA1CPA2CPA4MMEACE2

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-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed