SCHEMBL29438153

SCHEMBL29438153

CC(=O)OCC1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPR174 Q9BXC1 3/20 0.33
▸ GUSB P08236 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ESPL1 Q14674 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL22714339 1.00 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21635540 0.86 ESPL1 (0.37) MAPTALDH1A1MEN1KMT2AAKR1B1
SCHEMBL28363043 0.84 MAPT (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22714398 0.84 CA1 (0.33) ALDH1A1SMN1; SMN2CA1CA2RAB9A
SCHEMBL22714353 0.83 CA1 (0.41) MAPTALDH1A1AKR1B1CA12CA9
SCHEMBL29438166 0.83 CA1 (0.41) MAPTALDH1A1AKR1B1CA12CA9
SCHEMBL25166774 0.83 AKR1B1 (0.36) MAPTGUSBAKR1B1HSP90AA1ESPL1
SCHEMBL21635547 0.82 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29438157 0.82 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22714396 0.80 CA1 (0.30) CA1CA2

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
EP-3976603-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2022-04-06 — — EP disclosed
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