SCHEMBL11823057

SCHEMBL11823057

CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(SCc2ccc(I)cc2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ VCAM1 P19320 2/20 0.40
▸ CA2 P00918 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ UGT1A7 Q9HAW7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ CNR2 P34972 6/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL11823574 0.96 MAPT (0.44) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11821357 0.91 CNR2 (0.48) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11822163 0.91 CA2 (0.47) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11818580 0.91 CA2 (0.47) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11816329 0.90 CNR2 (0.49) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11823209 0.87 VCAM1 (0.47) ALDH1A1MAPTVCAM1SMN1; SMN2CA12
SCHEMBL11820805 0.86 CA2 (0.48) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11819740 0.86 VCAM1 (0.40) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11819726 0.85 LMNA (0.45) ALDH1A1MAPTVCAM1CA2SMN1; SMN2
SCHEMBL11819921 0.84 CNR2 (0.48) ALDH1A1MAPTVCAM1CA2SMN1; SMN2

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
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