SCHEMBL8986575

SCHEMBL8986575

CC(C)(C)c1cc(CC(=O)O)cc(-n2cc3ccccc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ F2R P25116 1/20 0.38
▸ GCG P01275 4/20 0.37
▸ KDM6B O15054 2/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GCGR P47871 1/20 0.33

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
SCHEMBL8034190 0.89 GAA (0.41) MEN1KMT2AGAAF2RGCG
SCHEMBL8034022 0.82 NPC1 (0.42) MEN1KMT2AGAAF2RKDM4E
SCHEMBL13376130 0.80 TSHR (0.39) MEN1KMT2AGAAF2RESR2
SCHEMBL18975541 0.76 GAA (0.36) MEN1KMT2AGAAF2RGCG
SCHEMBL8986541 0.76 ATM (0.38) KMT2AGAAF2RGCGESR2
SCHEMBL8855668 0.72 ESR2 (0.37) MEN1KMT2AGCGESR2ALDH1A1
SCHEMBL38555 0.72 ALDH1A1 (0.53) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL100766 0.71 MAOB (0.45) MEN1KMT2AGAAF2RALDH1A1
SCHEMBL18093405 0.71 ESR2 (0.34) GCGESR2
SCHEMBL29768287 0.71 MAOB (0.45) MEN1KMT2AGAAF2RALDH1A1

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-0718341-A2 High molecular weight stabilizer compounds for stabilizing polymers GENERAL ELECTRIC COMPANY (US) 1996-06-26 — — EP disclosed
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