SCHEMBL8963364

SCHEMBL8963364

COc1ccc(N(OC)S(=O)(=O)CC(=O)Nc2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8963355 0.74 MAPT (0.44) ALDH1A1POLBLMNAL3MBTL1TSHR
SCHEMBL9462849 0.69 TSHR (0.49) ALDH1A1POLBTSHRMAPTNPC1
SCHEMBL9754199 0.69 ALDH1A1 (0.53) GAAALDH1A1POLBTSHRMAPT
SCHEMBL18415560 0.66 MAPT (0.51) ALDH1A1POLBTSHRMAPTMEN1
SCHEMBL1731363 0.66 GAA (0.53) GAAALDH1A1POLBHTTLMNA
SCHEMBL10683818 0.66 MAPT (0.59) GAAL3MBTL1TSHRMAPT
SCHEMBL7959792 0.65 MAPT (0.50) GAAALDH1A1LMNATSHRMAPT
SCHEMBL6816672 0.64 NPC1 (0.49) GAAALDH1A1HTTTSHRMAPT
SCHEMBL7959789 0.64 CYP3A4 (0.49) ALDH1A1POLBTSHRMAPTKMT2A
SCHEMBL9641181 0.64 CYP3A4 (0.49) ALDH1A1TSHRMAPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US claimed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed