SCHEMBL23402003

SCHEMBL23402003

Cc1ccc(-c2c(CC(C)C)nn(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.40
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23402276 0.93 DPP4 (0.39) DPP4DPP8DPP9NPC1TP53
SCHEMBL23400966 0.93 DPP4 (0.41) DPP4DPP8DPP9MEN1NPC1
SCHEMBL23403377 0.90 DPP4 (0.38) DPP4DPP8DPP9MEN1TP53
SCHEMBL23399964 0.87 ALDH1A1 (0.38) DPP4DPP8DPP9MAPTHSD17B10
SCHEMBL23401855 0.84 KDM4E (0.37) DPP4DPP8DPP9MEN1NPC1
SCHEMBL23402173 0.84 KDM4E (0.39) DPP4DPP8MEN1NPC1TP53
SCHEMBL23402138 0.84 HEXA (0.42) MEN1NPC1TP53CYP1A2CYP3A4
SCHEMBL23398803 0.83 ADORA1 (0.39) DPP4DPP8DPP9MEN1MAPT
SCHEMBL23403081 0.82 KDM4E (0.38) DPP4DPP8DPP9MEN1NPC1
SCHEMBL23403688 0.82 DPP4 (0.42) DPP4DPP8DPP9KDM4EUSP2

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