SCHEMBL4374935

SCHEMBL4374935

NCCCC[C@@H](NO)C(=O)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.47
MCL1 Q07820 3/20 0.47
SCN9A Q15858 1/20 0.45
MMP1 P03956 9/20 0.44
MMP13 P45452 9/20 0.44
MMP2 P08253 5/20 0.44
MMP9 P14780 5/20 0.44
TARS1 P26639 1/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
SOS1 Q07889 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP8 P22894 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MMP3 P08254 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 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
SCHEMBL1802607 0.84 MMP2 (0.52) SCN9AMMP1MMP13MMP2MMP9
SCHEMBL4372267 0.84 BCL2L1 (0.43) BCL2L1MCL1MMP1MMP13MMP2
SCHEMBL6472806 0.74 TARS1 (0.50) BCL2L1MCL1MMP1MMP13MMP2
SCHEMBL1800019 0.74 MMP2 (0.62) MMP1MMP13MMP2MMP9MMP3
SCHEMBL4299834 0.74 TACR2 (0.42) SCN9AMMP13MMP2MMP9MMP14
SCHEMBL3869082 0.73 MMP2 (0.42) BCL2L1MCL1SCN9AMMP1MMP13
SCHEMBL4372240 0.72 MMP2 (0.41) BCL2L1MCL1SCN9AMMP1MMP13
SCHEMBL6337882 0.72 ALDH1A1 (0.64) MMP2SOS1CA1CA2FFAR1
SCHEMBL1800122 0.71 MMP2 (0.65) BCL2L1MCL1SCN9AMMP1MMP13
SCHEMBL4379115 0.70 MMP2 (0.42) SCN9AMMP1MMP13MMP2MMP9

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed