SCHEMBL10494205

SCHEMBL10494205

O=C1C=C(O)C(=O)c2c(O)c(O)c(O)c(O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ RECQL P46063 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ XIAP P98170 3/20 0.39
▸ MEN1 O00255 5/20 0.37
▸ BLM P54132 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ TP53 P04637 2/20 0.37

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
SCHEMBL5820817 0.79 PIM1 (0.41) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL5820321 0.78 KDM4E (0.50) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL30003545 0.78 MAPT (0.50) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL5816866 0.78 MAPT (0.50) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL10494235 0.75 XIAP (0.44) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL5818746 0.73 MAPT (0.63) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL29791770 0.73 MAPT (0.63) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL19303804 0.71 MAPT (0.41) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL1560273 0.71 MAPT (0.43) MAPTKDM4EALDH1A1MAPK1CYP3A4
SCHEMBL5820540 0.69 PTGS2 (0.39) MAPTKDM4EALDH1A1MAPK1CYP3A4

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
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 — — US disclosed
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