SCHEMBL3949229

SCHEMBL3949229

CC(NC(=O)OCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CASP3 P42574 2/20 0.53
CTSK P43235 5/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
CTSB P07858 2/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL13622211 0.84 CTSL (0.52) ATMCTSSCTSLCASP3CTSK
SCHEMBL7372298 0.83 ATM (0.61) ATMCTSSCTSLCTSKCTRB1
SCHEMBL13737572 0.82 CTSK (0.52) ATMCTSSCTSLCTSKCA12
SCHEMBL22775253 0.82 SYK (0.55) ATMCTSSCTSLCTSKCA12
SCHEMBL6924287 0.82 LMNA (0.51) ATMCTSLCASP3CTSKCA1
SCHEMBL28434500 0.82 CA2 (0.51) ATMCTSSCTSLCASP3CTSK
SCHEMBL2059541 0.82 ATM (0.62) ATMCTSSCTSLCTSKCTRB1
SCHEMBL7303688 0.81 TRPM8 (0.58) ATMCTSSCTSLCTSKCA12
SCHEMBL2550712 0.81 CA2 (0.52) ATMCTSSCTSLCASP3CTSK
SCHEMBL7761195 0.81 ALDH1A1 (0.46) CA12CA1CA2CA9

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
WO-2009027679-A1 PROCESS FOR THE PREPARATION OF GUANIDINO SUBSTITUTED BI-AND POLYPHENYLS THAT ARE SUITABLE AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2009-03-05 WO disclosed