SCHEMBL6980265

SCHEMBL6980265

Cc1ccc([C@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
STAT3 P40763 2/20 0.43
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2539995 1.00 PKM (0.44) PKMSTAT3DHODHGAACYP2D6
SCHEMBL3181029 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL3181035 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL2545371 0.93 UTS2R (0.42) PKMGAAALDH1A1MAPTKMT2A
SCHEMBL2534458 0.93 UTS2R (0.42) PKMGAAALDH1A1MAPTKMT2A
SCHEMBL2539955 0.93 ALDH1A1 (0.42) PKMGAAALDH1A1MEN1KMT2A
SCHEMBL1206501 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL4920359 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL2545829 0.92 PKM (0.53) PKMSTAT3DHODHCYP2D6ALDH1A1
SCHEMBL2538585 0.91 ALDH1A1 (0.51) GAAALDH1A1MAPTMEN1KMT2A

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