SCHEMBL17997015

SCHEMBL17997015

CCCS(=O)(=O)c1ccc(OCCOCCOCCOCCOCCOc2ccc(S(=O)(=O)CCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.55
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.48
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MMP13 P45452 2/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL17997020 0.91 MMP1 (0.48) MMP1CA12CA1CA2CA7
SCHEMBL5384277 0.85 MMP1 (0.61) MMP1CA12CA1CA2CA7
SCHEMBL5388006 0.85 MMP1 (0.61) MMP1CA12CA1CA2CA7
SCHEMBL26022071 0.82 TDP1 (0.51) MMP1CA12CA1CA2CA7
SCHEMBL17997018 0.81 MMP1 (0.47) MMP1CA12CA1CA2CA7
SCHEMBL13526644 0.81 MMP1 (0.53) MMP1CA12CA1CA2CA7
SCHEMBL9598807 0.79 MMP1 (0.54) MMP1CA12CA1CA2CA7
SCHEMBL7378663 0.79 SMN1; SMN2 (0.60) MMP1CA12CA1CA2CA7
SCHEMBL4195258 0.78 MMP13 (0.66) MMP1ALDH1A1HTTMMP13MEN1
SCHEMBL15060917 0.78 CA12 (0.70) MMP1CA12CA1CA2CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828540-B2 Compositions for treating subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2017-11-28 US disclosed
US-20160230066-A1 COMPOSITIONS FOR TREATING SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2016-08-11 US disclosed