SCHEMBL30631933

SCHEMBL30631933

O=C(O)c1[nH]nnc1Sc1cccc(OC2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 16/20 0.45
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ KAT6A Q92794 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL22816391 1.00 HAO1 (0.45) HAO1ITGB2ICAM1ITGALKAT6A
SCHEMBL22817013 0.99 HAO1 (0.44) HAO1ITGB2ICAM1ITGALKAT6A
SCHEMBL30631949 0.99 HAO1 (0.44) HAO1ITGB2ICAM1ITGALKAT6A
Trifluoroacetic Acid SCHEMBL22608635 0.94 HAO1 (0.41) HAO1ITGB2ICAM1ITGAL
Trifluoroacetic Acid SCHEMBL22608395 0.93 HAO1 (0.40) HAO1ITGB2ICAM1ITGAL
SCHEMBL22816389 0.86 TUBB4A (0.44) HAO1ITGB2ICAM1ITGALMAOB
SCHEMBL22817014 0.85 TUBB4A (0.45) HAO1ITGB2ICAM1ITGALMAOB
SCHEMBL22608636 0.84 ITGB2 (0.40) HAO1ITGB2ICAM1ITGALMEN1
SCHEMBL22608396 0.83 ITGB2 (0.39) HAO1ITGB2ICAM1ITGALKAT6A
SCHEMBL22608082 0.79 HAO1 (0.66) HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126151-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-28 — — CN disclosed
CN-117069713-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 — — CN disclosed
CN-117069712-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 — — CN disclosed
CN-117024420-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-10 — — CN disclosed
Send feedback