SCHEMBL7345215

SCHEMBL7345215

COC(=O)c1ccc(C)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.64
CYP2C9 P11712 6/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL14616750 0.89 NOTUM (0.53) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL31238876 0.86 MAPT (0.57) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL4580602 0.86 MAPT (0.57) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL2934710 0.86 MAPT (0.57) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL31336381 0.86 MAPT (0.57) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL3904698 0.84 NOTUM (0.57) NOTUMALDH1A1MAPTCA12CA1
SCHEMBL6134609 0.83 NOTUM (0.50) NOTUMCYP2C9ALDH1A1MAPTCA12
SCHEMBL14448997 0.83 NOTUM (0.47) NOTUMCYP2C9ALDH1A1MAPTTSHR
SCHEMBL2314446 0.83 NOTUM (0.47) NOTUMCYP2C9ALDH1A1MAPTCA12
SCHEMBL18822403 0.82 PTGS2 (0.50) NOTUMMAPTTSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0540334-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-03 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1995017397-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-29 WO disclosed
US-5416099-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1995-05-16 US disclosed
US-5389631-A A piperidinyl quinazoline or 1,3-benzodiazepine antiagglomerants of blood MERCK & CO., INC. (US) 1995-02-14 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
US-5272158-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-12-21 US disclosed
EP-0540334-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1993-05-05 EP disclosed