Metacresol

Metacresol

SCHEMBL27702878

Cc1cccc(O)c1.O=C(O)c1c(I)cc(I)cc1I

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 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
Metacresol SCHEMBL1034095 0.78 ACHE (0.81) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL28339537 0.78 ACHE (0.81) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL15466197 0.77 ACHE (0.77) ACHEALDH1A1CA12CA1CA2
SCHEMBL2336086 0.76 TTR (0.46) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL6234380 0.76 ACHE (0.94) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL20505362 0.75 CYP1A2 (0.57) ACHEALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL8425075 0.74 TTR (0.43) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL9774388 0.74 ACHE (1.00) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL2314567 0.74 ACHE (1.00) ACHEALDH1A1CA12CA1CA2
Metacresol SCHEMBL11437600 0.74 ACHE (1.00) ACHEALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101166831-B Method for measuring cholesterol in high-density lipoprotein KYOWA MEDEX CO LTD 2011-07-20 — — CN disclosed
CN-101166831-A Method for measuring cholesterol in high-density lipoprotein KYOWA MEDEX CO LTD (JP) 2008-04-23 — — CN disclosed
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