SCHEMBL7066988

SCHEMBL7066988

NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1.Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.73
PRSS1 P07477 1/20 0.73
PRSS2 P07478 1/20 0.73
PRSS3 P35030 1/20 0.73
F11 P03951 16/20 0.57
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PLG P00747 1/20 0.56
PLAU P00749 1/20 0.56

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
SCHEMBL7066980 1.00 KLKB1 (0.73) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL19988159 0.99 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL14159640 0.99 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL14159641 0.99 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL19988160 0.99 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Aminobenzoic Acid SCHEMBL7267215 0.88 KLKB1 (0.62) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL7268849 0.87 KLKB1 (0.60) KLKB1PRSS1PRSS2PRSS3F11
SCHEMBL6450462 0.87 KLKB1 (0.74) KLKB1PRSS1PRSS2PRSS3F11
SCHEMBL5961152 0.87 KLKB1 (0.74) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL7266461 0.87 KLKB1 (0.60) KLKB1PRSS1PRSS2PRSS3F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9048817-A None JP disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
US-6440937-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERIN PROTEASES, ESPECIALLY THROMBIN AND KININOGENASES SUCH AS KALLIKREIN; THROMBIN INHIBITORS, ANTICOAGULANTS, AND ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES 2002-08-27 US disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
JP-H0948817-A AFFINITY RESIN FOR PURIFICATION OF PLASMA KALLIKREIN MITSUBISHI CHEM CORP 1997-02-18 JP disclosed