SCHEMBL8601417

SCHEMBL8601417

O=C(O)c1cc(C(=O)O)c(C(=O)NO)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.43
GAA P10253 2/20 0.43
LCK P06239 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC7 Q8WUI4 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
ALOX15 P16050 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC2 Q92769 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL8601424 1.00 MPO (0.43) MPOGAALCKKDM4ESMN1; SMN2
SCHEMBL27698661 1.00 MPO (0.43) MPOGAALCKKDM4ESMN1; SMN2
SCHEMBL8632929 1.00 MPO (0.43) MPOGAALCKKDM4ESMN1; SMN2
SCHEMBL27877878 0.89 LCK (0.38) MPOGAALCKKDM4ESMN1; SMN2
SCHEMBL25060909 0.89 GAA (0.50) MPOGAAKDM4ESMN1; SMN2HIF1A
SCHEMBL9789456 0.83 IDO1 (0.55) MPOGAAKDM4ESMN1; SMN2HIF1A
SCHEMBL20496963 0.81 LCK (0.44) GAALCKALOX15CA12CA1
Pyromellitic Acid SCHEMBL22443 0.80 ALDH1A1 (0.53) KDM4ESMN1; SMN2HIF1AALOX15CA12
Pyromellitic Acid SCHEMBL22127 0.80 ALDH1A1 (0.53) KDM4ESMN1; SMN2HIF1AALOX15CA12
SCHEMBL29057746 0.78 KDM4E (0.56) GAAKDM4EHDAC7HDAC8ALOX15

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-5733342-A BUILDERS AND BLEACH STABILIZERS IN DETERGENTS AND CLEANING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed