SCHEMBL31337586

SCHEMBL31337586

COC(=O)c1ccc(C(F)(F)F)c(C[Zn+])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ XDH P47989 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ P4HB P07237 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ PDK2 Q15119 2/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41

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
Bromide SCHEMBL30583315 0.98 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL24214166 0.84 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL3913814 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL1997248 0.80 NOTUM (0.73) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL13957150 0.80 NOTUM (0.56) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL1676672 0.79 NOTUM (0.61) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL3902837 0.78 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL29244637 0.78 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNAHTT
Phosphine SCHEMBL28019024 0.78 NOTUM (0.60) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL3830811 0.78 NOTUM (0.69) NOTUMKDM4EALDH1A1LMNAHTT

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-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 — — CN disclosed
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