SCHEMBL11199765

SCHEMBL11199765

CC(C)(C)c1cc(CC(=O)O)c2c([nH]c3ccccc32)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KIF11 P52732 1/20 0.43
EGFR P00533 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DYRK1A Q13627 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL8390401 0.74 MAPT (0.41) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL18641994 0.72 APP (0.53) MAPTKDM4EALDH1A1GAAKIF11
SCHEMBL11195362 0.71 TDP1 (0.54) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL11193071 0.71 MAPT (0.46) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL30443913 0.68 GRIN2D (0.59) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL5684603 0.68 GRIN2D (0.59) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL8390363 0.68 MAPT (0.47) MAPTKDM4EALDH1A1GAACASP1
Terephthalic Acid SCHEMBL29145313 0.68 KIF11 (0.46) MAPTKDM4EALDH1A1GAAKIF11
SCHEMBL8389032 0.68 PPARG (0.42) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL4535317 0.68 MAPT (0.62) MAPTKDM4EALDH1A1GAACASP1

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
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed