SCHEMBL19920846

SCHEMBL19920846

O=C(O)/C=C(/C(=O)O)c1cc(C(=O)O)ncc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.51
▸ ASPH Q12797 12/20 0.51
▸ KDM8 Q8N371 11/20 0.51
▸ DDT P30046 1/20 0.41
▸ RIOX2 Q8IUF8 8/20 0.40
▸ P4HTM Q9NXG6 2/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.36
▸ P4HA1 P13674 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ GABRP O00591 3/20 0.35
▸ GABRD O14764 3/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB1 P18505 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ GABRA4 P48169 3/20 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
SCHEMBL1171098 0.81 KDM4E (0.67) KDM4EASPHKDM8DDTRIOX2
Nitrous Acid SCHEMBL28562581 0.74 KDM4E (0.58) KDM4EASPHKDM8DDTRIOX2
SCHEMBL28557056 0.71 DDT (0.62) KDM4EASPHKDM8DDTRIOX2
SCHEMBL9319224 0.70 KDM4E (0.53) KDM4EASPHKDM8DDTRIOX2
SCHEMBL9318569 0.70 KDM4E (0.62) KDM4EASPHKDM8DDTRIOX2
SCHEMBL15793363 0.70 KDM4E (0.57) KDM4EASPHKDM8DDTRIOX2
SCHEMBL8220004 0.68 KDM4E (0.60) KDM4EASPHKDM8DDTRIOX2
SCHEMBL19857495 0.68 ASPH (0.60) KDM4EASPHKDM8DDTRIOX2
SCHEMBL9319920 0.68 KDM4E (0.60) KDM4EASPHKDM8DDTRIOX2
SCHEMBL3240453 0.68 ASPH (0.55) KDM4EASPHKDM8DDTRIOX2

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
WO-2018036997-A1 COMPOSITE MATERIALS BASF SE (DE) 2018-03-01 — — WO disclosed
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