SCHEMBL11525593

SCHEMBL11525593

O=C(Nc1c(C(=O)O)ccc(C(=O)O)c1NC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
RAD51 Q06609 1/20 0.51
GAA P10253 3/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2811336 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL5169945 0.80 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL29659875 0.80 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL2812517 0.80 ALDH1A1 (0.78) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL10738532 0.79 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL11522179 0.78 MEN1 (0.48) ALDH1A1KDM4EHPGDATMKMT2A
SCHEMBL16654481 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL16654478 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL8603028 0.77 MAPT (0.78) ALDH1A1MAPTKDM4ERAD51GAA
SCHEMBL16672098 0.76 KMT2A (0.58) ALDH1A1MAPTKDM4ERAD51GAA

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-4160866-A CROSSLINKERS FOR NATURAL AND SYNTHETIC RUBBERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed