SCHEMBL23402117

SCHEMBL23402117

Cc1ccc(-c2c(O)c(CC(C)C)nn2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLK4 O00444 1/20 0.33
RIPK2 O43353 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
ERBB2 P04626 1/20 0.33
INSR P06213 1/20 0.33

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
SCHEMBL23400082 0.87 HTR2A (0.40) HPGDKDM4EUSP2HSD17B10SMN1; SMN2
SCHEMBL23398973 0.84 RIPK2 (0.41) DPP4HPGDKDM4EUSP2HSD17B10
SCHEMBL23400849 0.84 ALDH1A1 (0.35) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23401772 0.82 MAPT (0.36) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23403123 0.81 HPGD (0.38) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23402466 0.81 HTT (0.34) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23401967 0.80 HPGD (0.37) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23398444 0.80 HTR2A (0.43) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23401378 0.80 MAPT (0.38) DPP4DPP8DPP9HPGDKDM4E
SCHEMBL23400956 0.79 LMNA (0.39) HPGDKDM4EUSP2HTTSMN1; 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