SCHEMBL11820805

SCHEMBL11820805

CCCCN(CCCC)S(=O)(=O)c1ccc(SCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.48
▸ CA4 P22748 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA12 O43570 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA13 Q8N1Q1 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL11818580 0.96 CA2 (0.47) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11822163 0.96 CA2 (0.47) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11817894 0.91 TAS2R14 (0.47) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11819726 0.90 LMNA (0.45) CA2CA4ALDH1A1MAPTKMT2A
SCHEMBL11823574 0.90 MAPT (0.44) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11826205 0.90 PTPRC (0.47) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11819918 0.90 KMT2A (0.47) CA2CA4RXFP1ALDH1A1MAPT
SCHEMBL11819669 0.87 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11821357 0.87 CNR2 (0.48) CA2CA4ALDH1A1MAPTTP53
SCHEMBL11821631 0.87 CA2 (0.49) CA2CA4ALDH1A1MAPTKMT2A

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
Send feedback