SCHEMBL16130494

SCHEMBL16130494

CC(=O)Oc1ccc(/C=C/c2cc(O)cc(ON)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.69
▸ MEN1 O00255 6/20 0.69
▸ MAPT P10636 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ CYP3A4 P08684 5/20 0.69
▸ TTR P02766 4/20 0.69
▸ LMNA P02545 4/20 0.69
▸ TP53 P04637 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ CYP19A1 P11511 3/20 0.60
▸ TUBB4A P04350 2/20 0.56
▸ TUBB P07437 2/20 0.56
▸ TUBA3C P0DPH7 2/20 0.56
▸ TUBA1B P68363 2/20 0.56
▸ TUBA4A P68366 2/20 0.56
▸ TUBB4B P68371 2/20 0.56
▸ TUBB3 Q13509 2/20 0.56
▸ TUBB2A Q13885 2/20 0.56
▸ TUBB8 Q3ZCM7 2/20 0.56
▸ TUBA3E Q6PEY2 2/20 0.56

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
SCHEMBL1808387 0.91 MEN1 (0.84) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL1808386 0.91 MEN1 (0.84) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL2574065 0.88 LMNA (0.77) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL2574064 0.88 LMNA (0.77) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL1486831 0.84 MEN1 (0.73) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL1486827 0.84 MEN1 (0.73) KDM4EMEN1MAPTKMT2ACYP3A4
Triacetylresveratrol SCHEMBL717980 0.82 TTR (1.00) KDM4EMEN1MAPTKMT2ACYP3A4
Triacetylresveratrol SCHEMBL717979 0.82 TTR (1.00) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL18471992 0.82 LMNA (0.69) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL15686516 0.81 PTGS2 (0.68) KDM4EMEN1MAPTKMT2ACYP3A4

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
US-8846724-B2 Compositions for treating obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-30 — — US disclosed
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