SCHEMBL23403239

SCHEMBL23403239

CCCCn1nc(O)c(-c2ccc(C)cc2)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
NR1H3 Q13133 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ESR1 P03372 1/20 0.34
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 2/20 0.33
NPC1 O15118 2/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL23401240 0.92 DPP4 (0.34) GCGRMEN1KMT2AESR1DPP4
SCHEMBL23403345 0.88 NR1H3 (0.44) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23400630 0.87 GRIA2 (0.40) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23400170 0.85 GCGR (0.38) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23400126 0.85 DPP4 (0.39) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23402592 0.84 DPP4 (0.36) GCGRMEN1KMT2ADPP4DPP8
SCHEMBL23401147 0.82 ESR1 (0.41) NR1H3MEN1KMT2AESR1RAB9A
SCHEMBL23399501 0.82 GCGR (0.42) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23402027 0.81 NR1H3 (0.39) GCGRNR1H3MEN1KMT2AESR1
SCHEMBL23401361 0.80 MEN1 (0.37) GCGRNR1H3MEN1KMT2AESR1

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