SCHEMBL7315893

SCHEMBL7315893

CCCCOc1ccc(S(=O)(=O)c2c(C)c(N)c(C(=O)NO)c(Cc3ccccc3)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.47
ADAM17 P78536 8/20 0.47
MMP9 P14780 7/20 0.47
MMP1 P03956 9/20 0.43
CTRC Q99895 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP2 P08253 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL7319249 0.89 MMP13 (0.43) MMP13ADAM17MMP9MMP1CTRC
SCHEMBL7317445 0.85 MMP13 (0.45) MMP13ADAM17MMP9MMP1ADAMTS4
SCHEMBL7324951 0.85 CTRC (0.43) MMP13ADAM17MMP9MMP1CTRC
SCHEMBL7316684 0.84 MMP9 (0.46) MMP13ADAM17MMP9MMP1CTRC
SCHEMBL7319004 0.83 MMP9 (0.48) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL7322589 0.82 CYP2D6 (0.42) MMP13ADAM17MMP9CTRCMMP3
SCHEMBL7323399 0.81 MMP9 (0.49) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL7310752 0.80 MMP9 (0.47) MMP13ADAM17MMP9MMP1CTRC
SCHEMBL7316165 0.79 MMP9 (0.48) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL7313417 0.79 CNR2 (0.39) MMP13ADAM17MMP9MMP1CTRC

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