SCHEMBL27397455

SCHEMBL27397455

COC(=O)C(OC(=O)c1ccccc1)(C(=O)O)C(C)CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCB1 P08183 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 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
SCHEMBL8629879 0.74 KMT2A (0.48) MEN1KMT2ANPSR1POLBALDH1A1
SCHEMBL8634343 0.72 KMT2A (0.46) MEN1KMT2ANPSR1POLBALDH1A1
SCHEMBL27412326 0.71 NPSR1 (0.41) MEN1KMT2ANPSR1POLBUSP2
SCHEMBL7641510 0.68 MEN1 (0.63) MEN1KMT2ANPSR1POLBUSP2
SCHEMBL10854331 0.68 CHRM2 (0.75) MEN1KMT2APOLBMITFALDH1A1
SCHEMBL14896576 0.68 NPC1 (0.43) MEN1KMT2ANPSR1POLBNPC1
Hydrochloric Acid SCHEMBL10885813 0.67 ALDH1A1 (0.76) MEN1KMT2ANPSR1POLBMITF
SCHEMBL3670567 0.66 SRC (0.50) KMT2APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL9170851 0.66 ALDH1A1 (0.73) MEN1KMT2APOLBMITFALDH1A1
SCHEMBL7720916 0.66 ALDH1A1 (0.52) MEN1KMT2APOLBMITFALDH1A1

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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed