SCHEMBL23399321

SCHEMBL23399321

Cc1ccc(-n2[nH]c(C(C)(C)C)c(C(C)(C)C)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 7/20 0.40
MT-CO1 P00395 1/20 0.39
MT-CO2 P00403 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL23400017 0.85 MT-CO1 (0.51) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD
SCHEMBL23399095 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD
SCHEMBL23401892 0.81 ALKBH5 (0.46) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD
SCHEMBL23398786 0.81 PTPN1 (0.40) SMN1; SMN2MAPTHPGDGAAKDM4E
SCHEMBL23401123 0.81 GAA (0.46) SMN1; SMN2MAPTHPGDGAAKDM4E
SCHEMBL23401817 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD
SCHEMBL23400588 0.80 MAPT (0.40) SMN1; SMN2MAPTHPGDGAAKDM4E
SCHEMBL23400216 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD
SCHEMBL23402079 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHPGDGAAKDM4E
SCHEMBL23399591 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMT-CO1MT-CO2HPGD

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