SCHEMBL4437562

SCHEMBL4437562

CCS(=O)(=O)N(CCO)CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA12 O43570 3/20 0.40
CA2 P00918 2/20 0.40
CA14 Q9ULX7 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
CA7 P43166 1/20 0.31
RAB9A P51151 1/20 0.31
CA9 Q16790 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
UGT1A7 Q9HAW7 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
MMP1 P03956 1/20 0.30
MMP7 P09237 1/20 0.30

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
SCHEMBL1737792 0.80 CNR2 (0.44) CA2SMN1; SMN2ALDH1A1
SCHEMBL14229362 0.80 CA1 (0.46) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL3348943 0.79 CA1 (0.67) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL16261608 0.77 CA1 (0.50) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL28476788 0.77 CA1 (0.50) CA1CA12CA2CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL3349991 0.77 CA1 (0.63) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL5118255 0.76 CA1 (0.39) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL14229365 0.76 CA1 (0.55) CA1CA12CA2CA14SMN1; SMN2
SCHEMBL2126416 0.76 DNM1 (0.48) CA1CA12CA2CA9
SCHEMBL7198490 0.76 MAPT (0.41) CA1CA12CA2CA14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3545009-B1 PHOTOINITATORS COLOPLAST AS (DK) 2021-07-21 EP disclosed
WO-2018095495-A1 PHOTOINITATORS COLOPLAST A/S (DK) 2018-05-31 WO disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed