SCHEMBL30779358

SCHEMBL30779358

CC(C)(C)OC(=O)Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
PLK1 P53350 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL2890796 1.00 MAPT (0.46) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL6741365 0.90 KDM4E (0.58) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL3256083 0.88 NPC1 (0.54) MAPTKDM4EALDH1A1HPGDATM
SCHEMBL9865843 0.85 KDM5A (0.50) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL2283371 0.85 PPARG (0.51) MAPTKDM4EALDH1A1GAAATM
SCHEMBL27865183 0.85 ACE2 (0.45) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL23754439 0.84 PPARG (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14876843 0.84 AAK1 (0.46) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL30955674 0.84 PPARG (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14085553 0.84 NPC1 (0.58) MAPTKDM4EALDH1A1MEN1KMT2A

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-117181309-A H 2 N-Cu-MOF/TpPa-1-COF photocatalyst and preparation method and application thereof 辽宁大学 2023-12-08 CN disclosed