SCHEMBL11035211

SCHEMBL11035211

O=C(O)c1ccccc1C(=O)c1ccccc1NC1CCCC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ABCC1 P33527 2/20 0.41
AKR1C3 P42330 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
CDC25B P30305 3/20 0.39
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
GSK3B P49841 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ACLY P53396 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL17595911 0.81 TP53 (0.49) GAAALDH1A1KDM4E
SCHEMBL17766568 0.81 TP53 (0.49) GAAALDH1A1KDM4E
SCHEMBL11035209 0.81 AKR1C3 (0.49) AKR1C3ALDH1A1CDC25BPTGS1PTGS2
SCHEMBL17766555 0.79 GAA (0.43) GAAMMP2MMP13IRAK4PTGS1
SCHEMBL10787690 0.78 MAPK8 (0.52) GAAABCC1GRIK1GRIA2ALDH1A1
SCHEMBL17766580 0.78 TP53 (0.52) GAAALDH1A1IRAK4KDM4E
SCHEMBL11035213 0.76 GRIK1 (0.51) GAAABCC1AKR1C3GRIK1GRIA2
SCHEMBL17766586 0.76 GAA (0.46) GAAALDH1A1IRAK4KMT2AKDM4E
SCHEMBL23304334 0.72 MAPK8 (0.54) GAAABCC1GRIK1GRIA2ALDH1A1
SCHEMBL24074130 0.72 GRIK1 (0.58) GAAABCC1AKR1C3GRIK1GRIA2

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
JP-59120655-A None JP disclosed
JP-S59120655-A FLUORAN DERIVATIVE, PRODUCTION THEREOF AND RECORDING MEDIUM USING SAID DERIVATIVE KANZAKI PAPER MFG CO LTD 1984-07-12 JP disclosed