SCHEMBL30875162

SCHEMBL30875162

CC(C)(C)c1ccc(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C2C(=O)Oc3ccc(C(C)(C)C)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
VCAM1 P19320 3/20 0.32
HPGD P15428 2/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL30172623 1.00 GAA (0.40) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL12231014 1.00 GAA (0.40) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL12456277 0.93 MAPT (0.35) GAAKMT2AALOX5ALDH1A1MAPT
SCHEMBL22759934 0.87 AKR1C3 (0.41) GAAALOX5HPGD
SCHEMBL29876492 0.83 MAPT (0.36) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL12273588 0.83 MAPT (0.36) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL29815170 0.83 MAPT (0.36) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL21183327 0.77 ALOX15 (0.39) MAPT
SCHEMBL22760055 0.77 MDH1 (0.31) KMT2AMEN1LMNAMAPT
SCHEMBL21596649 0.77 MAPT (0.35) GAAKMT2AMEN1ALOX5ALDH1A1

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
CN-118435221-A Environmental Properties of Plastic additives 巴斯夫欧洲公司 2024-08-02 CN disclosed
CN-117897427-A Stabilizer combinations for preventing degradation of synthetic polymers 巴斯夫欧洲公司 2024-04-16 CN disclosed