SCHEMBL7328241

SCHEMBL7328241

Cc1cc(OCC(=O)O)cc(OS(=O)(=O)c2ccccc2C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.47
F10 P00742 2/20 0.47
PRSS2 P07478 3/20 0.44
CTRC Q99895 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 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
SCHEMBL8543477 0.81 F2 (0.62) F2F10PRSS2CTRC
SCHEMBL7329198 0.79 F2 (0.66) F2F10PRSS2CTRC
SCHEMBL8650120 0.79 F2 (0.51) F2F10PRSS2CTRC
SCHEMBL7332517 0.77 F2 (0.54) F2PRSS2CTRCALDH1A1
SCHEMBL7435413 0.73 F2 (0.74) F2F10PRSS2CTRC
SCHEMBL20758809 0.73 KMT2A (0.60) ALDH1A1TDP1LTB4RLTB4R2
SCHEMBL20083681 0.71 ALDH1A1 (0.61) ALDH1A1TDP1
SCHEMBL7442037 0.71 F2 (0.58) F2F10PRSS2CTRC
SCHEMBL7444372 0.71 F2 (0.53) F2F10
SCHEMBL6749570 0.70 F2 (0.59) F2F10PRSS2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed