SCHEMBL29612249

SCHEMBL29612249

Cc1ccc(C(C)C)c(Cl)c1Cl.[Ru]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.38
▸ TRPA1 O75762 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ GABRA1 P14867 3/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGS1 P23219 2/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA1 P00915 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
SCHEMBL1156717 1.00 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29723099 0.98 LMNA (0.39) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL1462969 0.98 LMNA (0.39) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612243 0.95 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL27317473 0.84 GABRA1 (0.42) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL7877780 0.84 CYP3A4 (0.40) LMNAGPR55CYP3A4HTT
SCHEMBL2738303 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL13202844 0.81 LMNA (0.38) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL12061470 0.79 PDE2A (0.40) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL12061474 0.79 CYP3A4 (0.52) LMNASLC6A2HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101254-A COF composite material and preparation method and application thereof 南昌大学 2024-12-10 — — CN claimed
CN-118684579-A Method for preparing 2-methyl-4-acetoxyl-2-butenal by one-step method 浙江芳原馨生物医药有限公司 2024-09-24 — — CN claimed
CN-116813452-A Method for preparing dihydro-honokiol 济南明微医药科技有限公司 2023-09-29 — — CN claimed
CN-118684579-A Method for preparing 2-methyl-4-acetoxyl-2-butenal by one-step method 浙江芳原馨生物医药有限公司 2024-09-24 — — CN disclosed
CN-112334501-B Fluorine-based copolymer, water-repellent surface modifier, curable resin composition, and water-repellent coating film DIC株式会社 2022-09-27 — — CN disclosed
CN-112062767-B Preparation method and intermediate of rumepilone 杭州科巢生物科技有限公司 2022-03-11 — — CN disclosed
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