SCHEMBL23401240

SCHEMBL23401240

CCCn1nc(O)c(-c2ccc(C)cc2)c1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.34
DPP8 Q6V1X1 3/20 0.34
ESR1 P03372 2/20 0.34
GCGR P47871 1/20 0.34
DPP9 Q86TI2 2/20 0.34
GRIA4 P48058 2/20 0.33
GRIA2 P42262 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 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
SCHEMBL23403239 0.92 GCGR (0.38) DPP4DPP8ESR1GCGRDPP9
SCHEMBL23401361 0.88 MEN1 (0.37) ESR1GCGRGRIA4ALDH1A1MEN1
SCHEMBL23402592 0.86 DPP4 (0.36) DPP4DPP8GCGRDPP9ALDH1A1
SCHEMBL23400398 0.86 GRIA2 (0.41) ESR1GCGRGRIA4GRIA2ALDH1A1
SCHEMBL23403122 0.85 ESR1 (0.36) DPP4DPP8ESR1GCGRDPP9
SCHEMBL23403156 0.82 DPP4 (0.39) DPP4ESR1GCGRGRIA4GRIA2
SCHEMBL23402314 0.81 ESR1 (0.42) ESR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23403418 0.81 ESR1 (0.39) ESR1GCGRALDH1A1MEN1KMT2A
SCHEMBL23403345 0.80 NR1H3 (0.44) ESR1GCGRALDH1A1MEN1KMT2A
SCHEMBL23403483 0.80 ESR1 (0.39) ESR1GCGRALDH1A1MEN1KMT2A

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