SCHEMBL7524470

SCHEMBL7524470

C=CC(F)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
ITGB2 P05107 5/20 0.57
ICAM1 P05362 5/20 0.57
ITGAL P20701 5/20 0.57
ACE P12821 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL28982976 0.86 ALOX15 (0.64) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3082097 0.83 ALOX15 (0.57) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3082092 0.83 ALOX15 (0.57) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL15592745 0.81 ACE (0.70) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL16750046 0.81 ACE (0.70) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1263833 0.81 KDM4E (0.72) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1263822 0.81 KDM4E (0.72) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL19737124 0.81 ACE (0.70) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1131418 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1131419 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981953-B Polypeptide, application of polypeptide and composition containing polypeptide 首都医科大学 2021-10-08 CN disclosed
CN-110981953-A Polypeptide, application of polypeptide and composition containing polypeptide 首都医科大学 2020-04-10 CN disclosed
CN-1137134-C Polyfluoroalkyl tryptophan tripeptide thrombin inhibitors ���µ�˹ҩ�﹫˾ 2004-02-04 CN disclosed
CN-1137134-C Polyfluoroalkyl tryptophan tripeptide thrombin inhibitors ���µ�˹ҩ�﹫˾ 2004-02-04 CN disclosed
EP-0863916-B1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS AVENTIS PHARMA INC (US) 2002-04-10 EP disclosed
US-6069232-A ANTICOAGULANTS FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASES, AND FOR STORAGE OF BLOOD HOECHST MARION ROUSSEL, INC. (US) 2000-05-30 US disclosed
CN-1198748-A Polyfluoroalkyl tryptophan tripeptide thrombin inhibitors HOECHST MARION ROUSSEL INC (US) 1998-11-11 CN disclosed
EP-0863916-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997012904-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-04-10 WO disclosed