SCHEMBL11822366

SCHEMBL11822366

CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.62
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
RAB9A P51151 1/20 0.49
CA9 Q16790 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

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
SCHEMBL11819840 1.00 VCAM1 (0.62) VCAM1LMNAALDH1A1TSHRGAA
SCHEMBL11818879 1.00 VCAM1 (0.62) VCAM1LMNAALDH1A1TSHRGAA
SCHEMBL11826011 1.00 VCAM1 (0.62) VCAM1LMNAALDH1A1TSHRGAA
SCHEMBL4717293 0.90 ALDH1A1 (0.61) VCAM1LMNAALDH1A1TSHRGAA
SCHEMBL7335509 0.85 ALDH1A1 (0.72) VCAM1LMNAALDH1A1TSHRGAA
SCHEMBL11816670 0.84 S1PR3 (0.50) VCAM1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11817543 0.84 S1PR3 (0.50) VCAM1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11828911 0.82 VCAM1 (0.49) VCAM1MEN1KMT2ASMN1; SMN2CA12
SCHEMBL11820143 0.82 VCAM1 (0.49) VCAM1MEN1KMT2ASMN1; SMN2CA12
SCHEMBL11173512 0.81 KMT2A (0.54) VCAM1LMNAALDH1A1TSHRGAA

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