SCHEMBL30003218

SCHEMBL30003218

CC1=C(C)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.72
▸ MAPT P10636 6/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ TDP1 Q9NUW8 4/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ TSHR P16473 3/20 0.69
▸ HPGD P15428 3/20 0.69
▸ ALOX15 P16050 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ MAOB P27338 2/20 0.69
▸ HTT P42858 1/20 0.69
▸ STAT3 P40763 4/20 0.63
▸ KMT2A Q03164 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ RECQL P46063 5/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ ELANE P08246 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61

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
SCHEMBL5793791 1.00 MAOA (0.72) MAOAMAPTALDH1A1TDP1MAPK1
Droserone SCHEMBL30003199 0.88 MAOA (0.67) MAOAMAPTALDH1A1TDP1MAPK1
Droserone SCHEMBL5858407 0.88 MAOA (0.67) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL5817676 0.88 MAOA (0.67) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL5174518 0.85 MAOA (0.62) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29363946 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL187843 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29874705 0.84 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL28137084 0.83 MAPT (0.91) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL30544826 0.82 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1

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-116194204-A Ceramic coating for reducing deposition of metallic transition metals on metal parts in hydrogenation reactions 帝斯曼知识产权资产管理有限公司 2023-05-30 — — CN disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 — — CN disclosed
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