SCHEMBL23399466

SCHEMBL23399466

CCCc1nn(C(C)(C)C)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
DPP9 Q86TI2 4/20 0.40
DPP8 Q6V1X1 2/20 0.40
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PLK4 O00444 1/20 0.34
RIPK2 O43353 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL23402726 0.92 DPP4 (0.43) DPP4DPP9DPP8ALDH1A1HPGD
SCHEMBL23403137 0.88 HEXA (0.41) DPP4DPP9DPP8ALDH1A1HPGD
SCHEMBL23399302 0.87 SMN1; SMN2 (0.43) DPP4ALDH1A1HPGDLMNAKDM4E
SCHEMBL23402816 0.82 DPP4 (0.41) DPP4DPP9DPP8HPGDHTT
SCHEMBL23399115 0.81 DPP4 (0.40) DPP4DPP9DPP8ALDH1A1LMNA
SCHEMBL23401772 0.80 MAPT (0.36) DPP4DPP9DPP8ALDH1A1HPGD
SCHEMBL23402843 0.79 DPP4 (0.40) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL23399675 0.79 HPGD (0.41) DPP4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL23402007 0.79 SMN1; SMN2 (0.49) ALDH1A1HPGDHTTLMNAKDM4E
SCHEMBL23399789 0.77 RIPK2 (0.47) ALDH1A1HPGDHTTLMNAKDM4E

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