SCHEMBL23398803

SCHEMBL23398803

Cc1ccc(-c2c(CC(C)C)nn(-c3ccccc3C)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
DPP4 P27487 11/20 0.37
DPP8 Q6V1X1 3/20 0.37
KDM4E B2RXH2 2/20 0.37
DPP9 Q86TI2 2/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
ALPL P05186 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL23399224 0.92 ALDH1A1 (0.42) ADORA1DPP4KDM4EALDH1A1L3MBTL1
SCHEMBL23400027 0.86 ADORA1 (0.42) ADORA1KDM4EALDH1A1MAPTLMNA
SCHEMBL23400966 0.85 DPP4 (0.41) DPP4DPP8DPP9ALDH1A1MAPT
SCHEMBL23403142 0.84 ADORA1 (0.39) ADORA1DPP4DPP8KDM4EDPP9
SCHEMBL23402003 0.83 DPP4 (0.41) DPP4DPP8KDM4EDPP9MAPT
SCHEMBL23398730 0.82 ALDH1A1 (0.38) ADORA1DPP4DPP8KDM4EDPP9
SCHEMBL23402276 0.82 DPP4 (0.39) DPP4DPP8KDM4EDPP9ALDH1A1
SCHEMBL23398425 0.82 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL23398639 0.81 ADORA1 (0.38) ADORA1DPP4KDM4EALDH1A1MAPT
SCHEMBL23402794 0.81 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MAPTMEN1

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