SCHEMBL8850201

SCHEMBL8850201

O=C(O)CCCn1ccc(=O)c(O)c1C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
DUT P33316 3/20 0.40
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8850313 0.89 TBXA2R (0.40) FABP4FABP5CYP2D6PTGDR2KMT2A
SCHEMBL8851069 0.89 KDM4E (0.36) FABP4FABP5DUTKDM4ETP53
SCHEMBL8850682 0.87 CYP1A2 (0.40) FABP4FABP5PTGDR2MEN1KMT2A
SCHEMBL8850540 0.85 TNF (0.52) DUTKDM4ETP53CYP2D6HTT
SCHEMBL6198182 0.84 KMT2A (0.42) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6195293 0.84 KDM4E (0.41) DUTKDM4ETP53CYP2D6HTT
SCHEMBL27481986 0.83 KMT2A (0.41) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8849907 0.80 HTT (0.46) DUTHTTSMN1; SMN2PTGER4PTGER2
SCHEMBL6197640 0.80 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6196471 0.80 KDM4E (0.41) DUTKDM4ETP53CYP2D6HTT

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-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
CN-1151399-A Novel hydroxylpyridinones CIBA GEIGY AG (CH) 1997-06-11 CN disclosed