SCHEMBL8468557

SCHEMBL8468557

CC(C)(C)c1cc(CCC(=O)O)cc(-n2nnc3ccccc32)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ KCNMA1 Q12791 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CYP4Z1 Q86W10 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38

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
SCHEMBL1870426 0.89 MAOB (0.44) MAOBMAOAKCNMA1ATMGAA
SCHEMBL8466675 0.85 ALOX5 (0.38) MAOBMAOAKCNMA1ATMGAA
SCHEMBL21247974 0.81 KMT2A (0.51) MAOBKCNMA1ATMGAAKMT2A
SCHEMBL29768287 0.81 MAOB (0.45) MAOBMAOAGAAKMT2AMEN1
SCHEMBL100766 0.81 MAOB (0.45) MAOBMAOAGAAKMT2AMEN1
SCHEMBL3180865 0.79 APAF1 (0.41) MAOBEGLN3KCNMA1ATMKMT2A
SCHEMBL10482111 0.78 MAOB (0.33) MAOBMAOAKCNMA1ATMGAA
SCHEMBL4963816 0.78 KCNMA1 (0.51) KCNMA1ATMKMT2AMEN1SMN1; SMN2
SCHEMBL10394408 0.78 MAOB (0.38) MAOBMAOAKCNMA1ATMGAA
SCHEMBL8034190 0.77 GAA (0.41) MAOBMAOAGAAKMT2AMEN1

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
US-5900439-A DIGLYCIDYL TEREPHTHALATE AND/OR TRIGLYCIDYL TRIMELLITATE IN COMBINATION WITH UV FILTERS. BASF AKTIENGESELLSCHAFT (DE) 1999-05-04 — — US claimed
CN-117820557-A Ultraviolet-resistant ABS material, preparation method thereof and packaging bottle 余姚市维航塑业有限公司 2024-04-05 — — CN disclosed
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