SCHEMBL5674401

SCHEMBL5674401

Cc1cc(OCCC=O)cc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.50
CTRC Q99895 5/20 0.47
PRSS2 P07478 4/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL5674305 0.86 F2 (0.53) F2CTRCPRSS2F10
SCHEMBL5672986 0.86 F2 (0.59) F2CTRCPRSS2F10
SCHEMBL5673452 0.82 F2 (0.69) F2CTRCPRSS2F10
SCHEMBL8482202 0.80 ALDH1A1 (0.40) F2CTRCPRSS2ALDH1A1LMNA
SCHEMBL5675812 0.80 ALDH1A1 (0.45) F2CTRCPRSS2ALDH1A1LMNA
SCHEMBL5673558 0.80 F2 (0.71) F2CTRCPRSS2
SCHEMBL5672977 0.78 F2 (0.70) F2CTRCPRSS2F10
SCHEMBL5674264 0.78 F2 (0.72) F2CTRCPRSS2
SCHEMBL8481394 0.77 F2 (0.40) F2CTRCPRSS2ALDH1A1LMNA
SCHEMBL5675805 0.75 F2 (0.68) F2CTRCPRSS2

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
EP-0906091-B1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-10-04 EP disclosed
EP-0906091-A4 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-07-21 EP disclosed
EP-0906091-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-07 EP disclosed
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
WO-1997036580-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed