SCHEMBL11816670

SCHEMBL11816670

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)c1ccc(S)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.50
VCAM1 P19320 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA2 P00918 1/20 0.49
RAB9A P51151 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
ABCC2 Q92887 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
UGT1A7 Q9HAW7 1/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
SERPINE1 P05121 1/20 0.48
POLB P06746 1/20 0.46
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P4HB P07237 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
SCHEMBL11817543 1.00 S1PR3 (0.50) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11820143 0.90 VCAM1 (0.49) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11828911 0.90 VCAM1 (0.49) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11818879 0.84 VCAM1 (0.62) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11822366 0.84 VCAM1 (0.62) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11826011 0.84 VCAM1 (0.62) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11819840 0.84 VCAM1 (0.62) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11175627 0.78 SMN1; SMN2 (0.51) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11820666 0.77 SMN1; SMN2 (0.50) S1PR3VCAM1SMN1; SMN2CA12CA9
SCHEMBL11819862 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA9CA2RAB9A

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