SCHEMBL7312681

SCHEMBL7312681

COC(=O)c1cc(C(=O)OC(C)(C)C)c(N)c(CN2CCCC2)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MMP1 P03956 7/20 0.39
MMP9 P14780 7/20 0.39
MMP13 P45452 7/20 0.39
ADAM17 P78536 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
STS P08842 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
MMP3 P08254 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7314106 0.83 LMNA (0.43) KDM4EMMP1MMP9MMP13MEN1
SCHEMBL7315622 0.77 MMP13 (0.46) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL7313738 0.77 NAMPT (0.43) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL7351590 0.75 MMP9 (0.41) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL7324193 0.75 RAPGEF4 (0.48) MMP1MMP9MMP13MEN1KMT2A
SCHEMBL7325394 0.71 MMP13 (0.56) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL7323234 0.70 MMP1 (0.44) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL7318168 0.70 MMP1 (0.42) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL7317121 0.69 LMNA (0.42) MMP1MMP9MMP13ADAM17MEN1
SCHEMBL7315190 0.69 MMP9 (0.46) MMP1MMP9MMP13ADAM17

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed