SCHEMBL31059026

SCHEMBL31059026

COc1cc(C(C)=O)cc([Se]C#N)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ TPMT P51580 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39
▸ TUBB2A Q13885 3/20 0.39
▸ TUBB8 Q3ZCM7 3/20 0.39
▸ TUBA3E Q6PEY2 3/20 0.39

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
SCHEMBL31059030 1.00 LMNA (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL31059017 0.81 LMNA (0.55) LMNATPMTALDH1A1POLBMAPT
SCHEMBL31032711 0.78 MAPK10 (0.41) LMNAALDH1A1TSHRHTTMEN1
SCHEMBL290542 0.78 LMNA (0.69) LMNATPMTALDH1A1POLBMAPT
SCHEMBL7368999 0.76 LMNA (0.53) LMNAPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29142671 0.76 LMNA (0.67) LMNATPMTALDH1A1POLBMAPT
SCHEMBL30874271 0.74 ALOX15 (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL29243288 0.74 ALOX15 (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL24253152 0.73 LMNA (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL786462 0.72 LMNA (0.60) LMNATPMTALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388357-A Heteroatom-containing chalcone derivative and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-07-26 — — CN disclosed
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