SCHEMBL31520101

SCHEMBL31520101

CC(=O)N[C@@H](CC(=O)c1cccc(OC2CCCCO2)c1N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
PDE4B Q07343 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SLC6A3 Q01959 2/20 0.33
PTPN1 P18031 1/20 0.33
TMPRSS15 P98073 1/20 0.32

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
SCHEMBL30852313 0.76 SLC28A3 (0.51)
SCHEMBL30852275 0.76 SLC28A3 (0.51)
SCHEMBL30852306 0.76 SLC28A3 (0.51)
SCHEMBL30853448 0.72 KDM4E (0.62) TDP1KDM4EHIF1AITGB3ITGA2B
SCHEMBL17641542 0.72 KDM4E (0.62) TDP1KDM4EHIF1AITGB3ITGA2B
SCHEMBL8707829 0.69 PDE4B (0.43) PDE4BTDP1KDM4EPTPN1
SCHEMBL8584214 0.69 SMN1; SMN2 (0.39) ITGB1ITGA4KDM4EEP300CREBBP
SCHEMBL9535725 0.68 KDM4E (0.44) TDP1KDM4EITGB3ITGA2BSLC6A3
SCHEMBL31520049 0.68 ALDH1A1 (0.46) KDM4E
SCHEMBL3156486 0.68 ALDH1A1 (0.46) KDM4E

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-120019060-A Compounds and their use for filtering ultraviolet and/or high-energy visible light 索利奥美公司 2025-05-16 CN disclosed