SCHEMBL28891777

SCHEMBL28891777

COc1cccc(/C=C\C(=O)NCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.73
▸ KDM4E B2RXH2 5/20 0.73
▸ MMP1 P03956 5/20 0.72
▸ MMP2 P08253 5/20 0.72
▸ MMP9 P14780 5/20 0.72
▸ ACHE P22303 2/20 0.62
▸ HTT P42858 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ BCHE P06276 2/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ MEF2D Q14814 1/20 0.60
▸ PKM P14618 1/20 0.58
▸ MAPT P10636 1/20 0.57
▸ FOS P01100 1/20 0.56
▸ JUN P05412 1/20 0.56

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
SCHEMBL1567624 0.90 KDM4E (0.71) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL1567622 0.90 KDM4E (0.71) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL28952460 0.88 MMP1 (0.74) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL28952457 0.88 MMP1 (0.74) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL28891808 0.85 THRB (0.73) ALDH1A1MMP1MMP2MMP9ACHE
SCHEMBL21593780 0.85 MMP1 (0.73) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL4625918 0.85 KDM4E (0.55) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL15970747 0.84 MMP1 (1.00) ALDH1A1MMP1MMP2MMP9ACHE
SCHEMBL15970744 0.84 MMP1 (1.00) ALDH1A1MMP1MMP2MMP9ACHE
Hydrochloric Acid SCHEMBL4626360 0.84 KDM4E (0.54) ALDH1A1KDM4EMMP1MMP2MMP9

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-115197037-B Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2023-11-28 — — CN disclosed
CN-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 — — CN disclosed
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