SCHEMBL29163626

SCHEMBL29163626

Cc1c(C(C)(C)C)cc(OP(O)Oc2cc(C(C)(C)C)c(C)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATP2A2 P16615 1/20 0.34
▸ ATP2A3 Q93084 1/20 0.34
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HPN P05981 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ESRRA P11474 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL27267523 0.88 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL30371668 0.78 CA2 (0.39) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28394865 0.74 GABRA1 (0.46) CA2CA1ALDH1A1POLBTYR
SCHEMBL18715652 0.73 CA2 (0.64) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8829995 0.71 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL4373000 0.71 SMN1; SMN2 (0.50) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL16259713 0.71 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL27784556 0.70 CA1 (0.33) CA2CA1ALDH1A1ALOX15CYP1A2
SCHEMBL14452653 0.68 CA2 (0.57) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL996403 0.68 CA2 (0.63) CA2CA1ALDH1A1SMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071740-B Process for producing maleimide-based block copolymer 株式会社 日本触媒 2024-04-12 — — CN disclosed
CN-114524923-B Biodegradable polyester based on dodecanedioic acid and ethylene glycol, and preparation method and application thereof 天津工业大学 2024-02-27 — — CN disclosed
CN-114957625-B Biodegradable polyester based on dodecanedioic acid and butanediol, and preparation method and application thereof 天津工业大学 2024-01-26 — — CN disclosed
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