SCHEMBL22329142

SCHEMBL22329142

CCCCOc1ccc(S(=O)(=O)N(CC)CCC(C)C(=O)OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.54
MMP1 P03956 3/20 0.45
MMP13 P45452 3/20 0.45
MMP9 P14780 2/20 0.45
MMP2 P08253 2/20 0.45
MMP14 P50281 2/20 0.45
MMP8 P22894 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ADAM17 P78536 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL7345745 0.74 MMP3 (0.73) MMP3MMP1MMP13MMP9MMP2
SCHEMBL6932207 0.74 CA12 (0.53) MMP3MMP1MMP13MMP2MMP14
SCHEMBL6324386 0.73 MMP3 (0.60) MMP3MMP1MMP13MMP9MMP2
SCHEMBL28109365 0.73 SMN1; SMN2 (0.56) MMP3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6322271 0.72 MMP3 (0.59) MMP3MMP1MMP13MMP9MMP2
SCHEMBL6774290 0.70 MMP3 (0.56) MMP3MMP1MMP13MMP9MMP2
SCHEMBL2469274 0.70 KDM4E (0.59) SMN1; SMN2NPC1LMNAHTTRAB9A
SCHEMBL7341391 0.70 MMP3 (1.00) MMP3MMP1MMP13MMP9MMP2
SCHEMBL28109018 0.70 HTT (0.73) MEN1KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL6989718 0.69 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATDP1

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-3693362-A1 PARASITIC PLANT GERMINATION REGULATOR National University Corporation Nagoya University (JP) 2020-08-12 EP disclosed