SCHEMBL11214616

SCHEMBL11214616

COC(=O)C(C)c1cc(N)c(O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A3 Q01959 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
GAA P10253 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL11214271 0.85 PKM (0.38) CA12CA1CA2CA9SLC6A3
SCHEMBL11213627 0.81 MT-CO2 (0.43) MT-CO2PTGS1PTGS2CA12CA1
SCHEMBL10931210 0.79 MT-CO2 (0.47) MT-CO2PTGS1PTGS2SLC6A3AKR1C2
SCHEMBL29749568 0.79 MT-CO2 (0.47) MT-CO2PTGS1PTGS2SLC6A3AKR1C2
SCHEMBL24132878 0.78 MT-CO2 (0.48) MT-CO2PTGS1PTGS2CA12CA1
SCHEMBL11219168 0.75 GABRA1 (0.42) MT-CO2PTGS1PTGS2CA12CA1
SCHEMBL11216724 0.74 ALDH1A1 (0.58) MT-CO2PTGS1PTGS2ALOX15ALOX12
SCHEMBL31430560 0.74 ALDH1A1 (0.58) MT-CO2PTGS1PTGS2ALOX15ALOX12
SCHEMBL17891807 0.74 MT-CO2 (0.55) MT-CO2PTGS1PTGS2CA2SLC6A3
SCHEMBL1626214 0.73 SLC6A3 (0.57) MT-CO2PTGS1PTGS2SLC6A3SMN1; SMN2

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
EP-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed