SCHEMBL23399952

SCHEMBL23399952

CC(C)c1cc(=O)n(C(C)(C)C)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM5B Q9UGL1 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4800174 0.76 DAO (0.40) DAOALDH1A1MEN1KMT2AKDM5B
SCHEMBL23399391 0.74 DAO (0.39) DAOALDH1A1MEN1KMT2AKDM5B
SCHEMBL2406460 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL23401318 0.73 DAO (0.41) DAO
SCHEMBL14072335 0.71 LMNA (0.34) DAOKMT2ALMNAMAPT
SCHEMBL23403607 0.69 DAO (0.35) DAOALDH1A1MEN1KMT2AKDM5B
SCHEMBL23400008 0.69 DAO (0.35) DAO
SCHEMBL23399151 0.68 ALDH1A1 (0.35) DAOALDH1A1MEN1KMT2AKDM5B
SCHEMBL23399854 0.67 MEN1 (0.41) DAOALDH1A1MEN1KMT2AMAPT
SCHEMBL23403571 0.67 KDM4E (0.40) DAOALDH1A1KDM5BMAPTSMN1; SMN2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed