SCHEMBL11819862

SCHEMBL11819862

CCCCCCN(CCCCCC)S(=O)(=O)c1cc(C(=O)O)ccc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
RAB9A P51151 1/20 0.50
CA9 Q16790 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ABCC2 Q92887 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
UGT1A7 Q9HAW7 1/20 0.50
SLC22A11 Q9NSA0 1/20 0.50
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G4B P0C869 1/20 0.43
NSD2 O96028 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL11829733 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11173484 0.80 KMT2A (0.77) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11816670 0.77 S1PR3 (0.50) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11817543 0.77 S1PR3 (0.50) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11829232 0.76 KMT2A (0.42) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11817753 0.76 CA9 (0.50) SMN1; SMN2CA12CA2RAB9ACA9
SCHEMBL11816370 0.76 CA9 (0.50) SMN1; SMN2CA12CA2RAB9ACA9
SCHEMBL11596686 0.75 KMT2A (0.79) SMN1; SMN2KMT2ACA12CA2RAB9A
SCHEMBL11816623 0.75 TAS2R14 (0.62) KMT2APTGESALDH1A1
SCHEMBL11820143 0.75 VCAM1 (0.49) SMN1; SMN2KMT2ACA12CA2RAB9A

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 US disclosed