SCHEMBL7274451

SCHEMBL7274451

COC(=O)C(Cc1ccc(Oc2ccc(O)cc2)cc1)N(C=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.45
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.43
EPOR P19235 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
NPY5R Q15761 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7417141 0.82 SLC7A5 (0.42) MIFPPARGPPARAOPRM1OPRD1
SCHEMBL17923753 0.79 MIF (0.49) MIFLTA4HTSHREPORESR1
SCHEMBL7415908 0.79 EPOR (0.45) MIFLTA4HTSHREPOR
SCHEMBL17923755 0.79 MIF (0.49) MIFLTA4HTSHREPORESR1
Hydrochloric Acid SCHEMBL8687105 0.78 EPOR (0.44) MIFLTA4HTSHREPOR
SCHEMBL7492299 0.78 MAPK1 (0.39) MIFLTA4HCTSB
SCHEMBL7499940 0.78 MAPK1 (0.39) MIFLTA4HCTSB
SCHEMBL10686536 0.77 CYP1A2 (0.43) PPARGPPARA
SCHEMBL31409225 0.76 ESR1 (0.51) MIFLTA4HTSHRESR1ESR2
SCHEMBL7358570 0.76 CA12 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040317-A AN ANTIAGGLOMERANTS USEFUL IN THE PREVENTION AND TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION MERCK & CO., INC. (US) 2000-03-21 US disclosed
US-5658929-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5292756-A Novel sulfonamide fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed