SCHEMBL23402007

SCHEMBL23402007

Cc1ccc(-c2c(C)nn(C(C)(C)C)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 5/20 0.38
HTT P42858 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
PLK4 O00444 1/20 0.38
RIPK2 O43353 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38

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
SCHEMBL23401530 0.86 SMN1; SMN2 (0.66) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23399789 0.85 RIPK2 (0.47) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23403137 0.84 HEXA (0.41) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23401407 0.83 HPGD (0.37) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23401223 0.81 GCGR (0.37) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23398828 0.80 HPGD (0.47) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23400142 0.80 HPGD (0.47) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23399466 0.79 DPP4 (0.41) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23400956 0.77 LMNA (0.39) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL23399050 0.77 MAPT (0.44) SMN1; SMN2HPGDLMNAALDH1A1KDM4E

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