SCHEMBL7646964

SCHEMBL7646964

Cc1cc(OCCC[O])cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC(C(=O)O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.47
PRSS2 P07478 4/20 0.47
CTRC Q99895 3/20 0.47
F10 P00742 2/20 0.47
AKR1C3 P42330 4/20 0.46
PKLR P30613 1/20 0.44
AKR1C1 Q04828 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6752123 0.87 F2 (0.49) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL6747367 0.87 F2 (0.49) F2PRSS2CTRCF10
SCHEMBL6846619 0.82 F2 (0.52) F2PRSS2CTRCF10KMT2A
SCHEMBL6851400 0.77 F2 (0.53) F2PRSS2CTRCF10
SCHEMBL6929248 0.73 F2 (0.46) F2PRSS2CTRCF10
SCHEMBL6750764 0.73 F2 (0.66) F2
SCHEMBL6923341 0.73 F2 (0.70) F2PRSS2CTRC
SCHEMBL5243760 0.72 KMT2A (0.61) AKR1C3PKLRAKR1C1CYP2C19KMT2A
SCHEMBL6928378 0.72 F2 (0.50) F2PRSS2CTRCF10KMT2A
SCHEMBL6745715 0.72 F2 (0.50) F2PRSS2CTRCF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed