SCHEMBL6980159

SCHEMBL6980159

Cc1ccc(S(=O)(=O)OC[C@@H](O)c2cccc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.38
STAT3 P40763 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ACP3 P15309 1/20 0.36
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL2536163 0.88 ADRB3 (0.46) PKMTDP1ALDH1A1MAPTKMT2A
SCHEMBL767895 0.88 ADRB3 (0.46) PKMTDP1ALDH1A1MAPTKMT2A
SCHEMBL768346 0.88 ADRB3 (0.46) PKMTDP1ALDH1A1MAPTKMT2A
SCHEMBL2545829 0.87 PKM (0.53) PKMHTTALDH1A1DHODHKMT2A
SCHEMBL4920359 0.87 PKM (0.53) PKMHTTALDH1A1DHODHKMT2A
SCHEMBL1206501 0.87 PKM (0.53) PKMHTTALDH1A1DHODHKMT2A
SCHEMBL2537512 0.87 CHRM2 (0.52) PKML3MBTL1ALDH1A1MAPTCHRM2
SCHEMBL6980265 0.85 PKM (0.44) PKMHTTALDH1A1MAPTDHODH
SCHEMBL2539995 0.85 PKM (0.44) PKMHTTALDH1A1MAPTDHODH
SCHEMBL2539948 0.85 PNMT (0.49) HTTALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed