SCHEMBL29141465

SCHEMBL29141465

C#CCOc1ccc(CC(N)C(=O)O)cc1.C#CCc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ PTPN1 P18031 3/20 0.49
▸ SLC7A5 Q01650 4/20 0.49
▸ PTGS1 P23219 3/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ PPARA Q07869 1/20 0.44
▸ TPH1 P17752 3/20 0.43
▸ GRB2 P62993 1/20 0.43
▸ ALOX15 P16050 3/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42

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
SCHEMBL229603 0.94 ITGB3 (0.59) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL229602 0.94 ITGB3 (0.59) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Hydrochloric Acid SCHEMBL230409 0.93 ITGB3 (0.58) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Hydrochloric Acid SCHEMBL230410 0.93 ITGB3 (0.58) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL231560 0.87 SLC7A5 (0.62) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL231561 0.87 SLC7A5 (0.62) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL10001633 0.84 CA12 (0.47) ITGB3ITGA2BPTPN1SLC7A5PPARA
SCHEMBL2802898 0.83 CA12 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL4865204 0.83 CA12 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL28539108 0.83 SLC1A1 (0.58) ITGB3ITGA2BPTPN1SLC7A5PTGS1

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-117279506-A Tumor storage and cell culture compositions 艾欧凡斯生物治疗公司 2023-12-22 — — CN disclosed
Send feedback