SCHEMBL22804091

SCHEMBL22804091

O=C(N[C@@H](CCCCNC(=O)OC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.60
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.57
▸ ITGB3 P05106 2/20 0.54
▸ ITGAV P06756 2/20 0.54
▸ TGM2 P21980 6/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.51

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
SCHEMBL22804062 0.96 FOLH1 (0.63) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL178815 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL8823890 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL29401850 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL29401164 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL178700 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL22804067 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL31624479 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL29370715 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL27142277 0.87 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV

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
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO claimed
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