SCHEMBL9423944

SCHEMBL9423944

COc1ccc(OC(=O)Cl)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
TPMT P51580 1/20 0.48
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 3/20 0.46

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
SCHEMBL10962426 0.87 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13470760 0.85 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL153056 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL21101774 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL27655956 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8078511 0.82 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL28830235 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6700957 0.79 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3225432 0.79 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL16011227 0.78 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536475-B Polyglyoxylic acid esters, their preparation and use 西安大略大学 2021-04-30 CN disclosed
US-5356914-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1994-10-18 US disclosed
EP-0552213-A1 1,2,5,6-TETRAHYDROPYRIDINE OXIME DERIVATIVES BEECHAM GROUP PLC (GB) 1993-07-28 EP disclosed
US-5231107-A Compounds for treatment of Alzheimer*s disease or memory defects ROUSSEL UCLAF (FR) 1993-07-27 US disclosed
WO-1992006959-A1 1,2,5,6-TETRAHYDROPYRIDINE OXIME DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed
US-4921868-A Carbamate derivatives of the oxime of 1,2,5,6-tetrahydropyridin-3-carboxaldehyde, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1990-05-01 US disclosed