SCHEMBL353523

SCHEMBL353523

Bc1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ASPH Q12797 6/20 0.37
KDM8 Q8N371 5/20 0.37
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36

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
SCHEMBL28381976 0.78 KDM4E (0.46) KDM4EALDH1A1ASPHKDM8GABRP
SCHEMBL12765695 0.78 GABRP (0.39) KDM4EALDH1A1MAPTGABRPGABRD
SCHEMBL12183992 0.78 NAPRT (0.46) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL6845540 0.78 SMN1; SMN2 (0.46) KDM4EALDH1A1CYP3A4TSHRASPH
SCHEMBL19857472 0.77 KDM4E (0.45) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL1171022 0.77 KDM4E (0.45) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL1819716 0.75 GABRP (0.44) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL617721 0.75 KDM4E (0.44) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL19857468 0.75 GABRP (0.44) KDM4EALDH1A1ALOX15MAPTL3MBTL1
SCHEMBL9684853 0.75 ALDH1A1 (0.45) KDM4EALDH1A1ALOX15MAPTL3MBTL1

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
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed