SCHEMBL28019688

SCHEMBL28019688

O=C(O)c1c(O)c2c(c(O)c1C(=O)O)C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 6/20 0.55
TTR P02766 6/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAOA P21397 3/20 0.55
MAPK1 P28482 3/20 0.55
RECQL P46063 3/20 0.55
DAPK1 P53355 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
ALOX12 P18054 2/20 0.55
CYP1B1 Q16678 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A1 P04798 1/20 0.55
HSPD1 P10809 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL29360530 0.92 ALDH1A1 (0.52) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL5075855 0.92 ALDH1A1 (0.52) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL9131211 0.88 ALDH1A1 (0.52) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL23198953 0.86 MAPT (0.53) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL14063431 0.85 CYP3A4 (0.47) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL23198957 0.83 HSD17B10 (0.58) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL6003260 0.83 MAPT (0.57) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL8545502 0.82 MAPT (0.53) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL6548219 0.82 BCL2 (0.67) MAPTALDH1A1TTRKMT2AMEN1
SCHEMBL29407198 0.82 BCL2 (0.67) MAPTALDH1A1TTRKMT2AMEN1

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-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed