SCHEMBL23402829

SCHEMBL23402829

CCc1[nH]n(-c2ccc(C)cc2)c(=O)c1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MT-CO1 P00395 1/20 0.45
MT-CO2 P00403 1/20 0.45
ALDH1A1 P00352 5/20 0.41
GAA P10253 5/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KAT8 Q9H7Z6 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 2/20 0.38
KDM4E B2RXH2 2/20 0.37
PARP14 Q460N5 1/20 0.37
TP53 P04637 1/20 0.37
F2 P00734 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37

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
SCHEMBL23398599 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23402236 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23403517 0.88 SMN1; SMN2 (0.50) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23399003 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23399933 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23399885 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23398452 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23401960 0.85 MT-CO1 (0.59) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23402139 0.85 SMN1; SMN2 (0.64) SMN1; SMN2MT-CO1MT-CO2ALDH1A1GAA
SCHEMBL23399905 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAACYP1A2CYP2C19

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