SCHEMBL11821552

SCHEMBL11821552

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TNF P01375 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPRG P23470 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36

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
SCHEMBL11824107 0.89 CA2 (0.53) CA2CA4LMNANPC1KDM4E
SCHEMBL11818509 0.88 POLB (0.45) CA2CA4LMNANPC1KDM4E
SCHEMBL11823574 0.85 MAPT (0.44) CA2CA4LMNAKDM4EHTT
SCHEMBL11838590 0.85 LMNA (0.40) CA2CA4LMNANPC1KDM4E
SCHEMBL11821697 0.85 ALDH1A1 (0.49) CA2CA4HTTALDH1A1RAB9A
SCHEMBL11843840 0.85 ALDH1A1 (0.46) CA2CA4LMNAKDM4EHTT
SCHEMBL11819740 0.84 VCAM1 (0.40) CA2CA4LMNAKDM4EHTT
SCHEMBL11823057 0.84 ALDH1A1 (0.41) CA2CA4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11817200 0.81 ALDH1A1 (0.53) CA2CA4NPC1KDM4EALDH1A1
SCHEMBL11817140 0.81 CA2 (0.42) CA2CA4ALDH1A1PTPRG

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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