SCHEMBL11819740

SCHEMBL11819740

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CA4 P22748 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTPRG P23470 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL11821631 0.91 CA2 (0.49) VCAM1CA2MAPTCA4HTT
SCHEMBL11825881 0.90 TAS2R14 (0.43) VCAM1CA2MAPTCA4HTT
SCHEMBL11823574 0.88 MAPT (0.44) VCAM1CA2MAPTCA4HTT
SCHEMBL11816192 0.87 MAPT (0.48) VCAM1MAPTHTTALDH1A1KDM4E
SCHEMBL11823057 0.86 ALDH1A1 (0.41) VCAM1CA2MAPTCA4ALDH1A1
SCHEMBL11821552 0.84 CA2 (0.42) CA2CA4HTTPTPRGALDH1A1
SCHEMBL11825334 0.83 KMT2A (0.43) VCAM1CA2CA4HTTPTPRG
SCHEMBL11815898 0.83 PTPRG (0.46) VCAM1CA2CA4PTPRGLMNA
SCHEMBL11820805 0.78 CA2 (0.48) VCAM1CA2MAPTCA4ALDH1A1
SCHEMBL11819726 0.77 LMNA (0.45) VCAM1CA2MAPTCA4HTT

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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