SCHEMBL28992060

SCHEMBL28992060

CC(C)CCCCCCC1CCC(CCCCCCC(C)C)C(=O)C1.Cc1cc(O)c(O)cc1C.[Cu]

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ MET P08581 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ ALK Q9UM73 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
SCHEMBL28992035 0.99 LNPEP (0.31) LNPEPIGF1RMETSRCAXL
SCHEMBL30385570 0.86 CYP1A2 (0.35) —
SCHEMBL28992135 0.85 CYP1A2 (0.34) —
SCHEMBL28991805 0.83 CYP1A2 (0.34) —
SCHEMBL28991818 0.75 CNR2 (0.34) —
SCHEMBL28992226 0.74 CNR2 (0.34) —
SCHEMBL30385764 0.71 OPRK1 (0.32) —
SCHEMBL28414746 0.66 LMNA (0.42) —
SCHEMBL14356136 0.62 ESR1 (0.45) —
SCHEMBL6326571 0.61 PIK3CD (0.33) —

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-116041166-B 3, 6-Diisoalkyl cyclohexanone-4, 5-dialkyl-1, 2-benzenediol, preparation method and application 华南理工大学 2024-06-14 — — CN disclosed
CN-116041166-A 3, 6-diisoalkyl cyclohexanone-4, 5-dialkyl-1, 2-benzenediol, preparation method and application 华南理工大学 2023-05-02 — — CN disclosed
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