SCHEMBL3348715

SCHEMBL3348715

COC(=O)c1cc(C(=O)OC)cc(N2CCOC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
RCOR1 Q9UKL0 4/20 0.41
KDM1B Q8NB78 2/20 0.41
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8239483 0.91 ALDH1A1 (0.40) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL1962554 0.90 NOTUM (0.43) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL5853439 0.86 KDM1A (0.54) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL30443816 0.86 KDM1A (0.54) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL1015595 0.85 ALDH1A1 (0.52) KDM1AMAOAMAOBRCOR1ALDH1A1
SCHEMBL3344704 0.81 KDM5B (0.52) HSD17B10MGLLMAPTPKMLMNA
SCHEMBL3348720 0.80 CYP2C19 (0.45) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL8149394 0.76 SLC2A1 (0.46) KDM1AMAOAMAOBRCOR1ALDH1A1
SCHEMBL1965288 0.76 PRKAG1 (0.51) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL13229812 0.75 F10 (0.43) ALDH1A1ALOX15HSD17B10HPGDMGLL

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
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed