SCHEMBL7654404

SCHEMBL7654404

OCC(O)COCc1cncc(COCC(O)CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
USP2 O75604 2/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 1/20 0.34
TSHR P16473 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7656067 0.84 TACR1 (0.36) CA1CA2CA7CA9PRMT5
SCHEMBL7654006 0.83 CA1 (0.30) CA1CA2CA7CA9
SCHEMBL11473096 0.80 PRMT5 (0.55) CA1CA2CA7CA9PRMT5
SCHEMBL7103428 0.79 USP2 (0.35) CA1CA2CA7CA9PRMT5
SCHEMBL7103431 0.79 USP2 (0.35) CA1CA2CA7CA9PRMT5
SCHEMBL218661 0.73 CA1 (0.70) CA1CA2CA7CA9PRMT5
SCHEMBL16269805 0.73 CA1 (0.70) CA1CA2CA7CA9PRMT5
SCHEMBL7104782 0.73 CYP1A2 (0.37) CA1CA2CA7CA9PRMT5
SCHEMBL122306 0.73 CA1 (0.70) CA1CA2CA7CA9PRMT5
SCHEMBL508126 0.73 CA1 (0.70) CA1CA2CA7CA9PRMT5

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
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed