Guaiacol

Guaiacol

SCHEMBL27728369

CCOC(=O)C(C)C(=O)OCC.COc1ccccc1O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HSD17B2 P37059 1/20 0.49
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PLIN1 O60240 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PLIN5 Q00G26 1/20 0.47
▸ ABHD5 Q8WTS1 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 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
1,2-Dimethoxybenzene SCHEMBL27707758 0.90 KMT2A (0.51) CA1CA2TSHRKMT2AMAPT
Catechol SCHEMBL27707731 0.86 CA12 (0.55) CA1CA2TSHRKMT2AMAPT
Syringol SCHEMBL27728437 0.85 MAPT (0.48) CA1CA2TP53TSHRHSD17B2
Guaiacol SCHEMBL27644634 0.83 TSHR (0.62) CA1CA2TP53TSHRHSD17B2
SCHEMBL27707738 0.82 NFE2L2 (0.49) TSHRKMT2AMAPTMEN1LMNA
Guaiacol SCHEMBL27707739 0.80 CA1 (0.67) CA1CA2TP53TSHRKMT2A
Pyrogallol SCHEMBL27707754 0.80 CA1 (0.56) CA1CA2TSHRKMT2AMAPT
Guaiacol SCHEMBL4092047 0.79 CA1 (0.56) CA1CA2TP53TSHRHSD17B2
SCHEMBL9344621 0.79 MAPT (0.49) TP53TSHRKMT2AMAPTMEN1
SCHEMBL10654888 0.79 LMNA (0.51) CA1CA2TP53TSHRKMT2A

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
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 — — CN disclosed
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