SCHEMBL28406359

SCHEMBL28406359

O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.58
EPHX2 P34913 3/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ACHE P22303 1/20 0.51
SERPINE1 P05121 1/20 0.50
MAOB P27338 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL28406279 0.88 MEN1 (0.53) EPHX1MEN1KMT2APOLBEPHX2
SCHEMBL28403250 0.87 KMT2A (0.57) MEN1KMT2APOLBEPHX2
SCHEMBL28403244 0.87 KMT2A (0.56) EPHX1MEN1KMT2APOLBEPHX2
SCHEMBL28410644 0.85 EPHX2 (0.55) EPHX1MEN1KMT2APOLBEPHX2
SCHEMBL28400723 0.84 EPHX2 (0.58) MEN1KMT2APOLBEPHX2ALDH1A1
SCHEMBL28397948 0.84 ALDH1A1 (0.65) NPSR1ALDH1A1MAPT
SCHEMBL28402766 0.81 KMT2A (0.53) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL28402805 0.81 CRBN (0.52) EPHX1EPHX2NPSR1SERPINE1MAOB
SCHEMBL1424877 0.80 KMT2A (0.73) EPHX1MEN1KMT2APOLBEPHX2
SCHEMBL4369698 0.80 EPHX1 (0.82) EPHX1MEN1KMT2APOLBEPHX2

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-108440389-B 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof 山东大学 2020-05-29 CN disclosed