SCHEMBL11292555

SCHEMBL11292555

CCC(O)(C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3O)cc2)cc1)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.41
MMP13 P45452 8/20 0.41
MMP8 P22894 7/20 0.41
MMP12 P39900 7/20 0.41
MMP9 P14780 6/20 0.41
MMP14 P50281 6/20 0.41
MMP16 P51512 6/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
MMP3 P08254 5/20 0.39
MMP1 P03956 3/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD11B1 P28845 3/20 0.36
NR1H2 P55055 2/20 0.35
LMNA P02545 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11299129 0.91 HTT (0.39) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11291956 0.90 HTT (0.38) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11295161 0.89 MMP2 (0.41) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11301045 0.89 MMP2 (0.41) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11290823 0.88 ABCC9 (0.44) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11292671 0.88 ABCC9 (0.36) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11302824 0.87 HTT (0.42) HTTSMN1; SMN2HSD11B1NR1H2LMNA
SCHEMBL11293779 0.87 HTT (0.42) HTTSMN1; SMN2HSD11B1NR1H2LMNA
SCHEMBL11294436 0.84 GAA (0.47) MMP2MMP8MMP9MMP14MMP3
SCHEMBL11290722 0.84 MMP2 (0.40) MMP2MMP13MMP8MMP12MMP9

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-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed