SCHEMBL23400229

SCHEMBL23400229

CCCCn1[nH]c(-c2ccc(C)cc2)c(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ADORA2A P29274 4/20 0.40
▸ ADORA2B P29275 4/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL23402335 0.91 ADORA2A (0.45) ADORA2AADORA2BNPC1RAB9AALDH1A1
SCHEMBL23399357 0.88 MEN1 (0.55) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23403403 0.87 KMT2A (0.40) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23400177 0.86 MEN1 (0.38) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23402321 0.85 CYBB (0.40) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23400214 0.85 MEN1 (0.43) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23403001 0.84 CYBB (0.44) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23400635 0.84 KDM4E (0.42) ADORA2AADORA2BNPC1RAB9AALDH1A1
SCHEMBL23399972 0.83 KMT2A (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL23401860 0.82 KMT2A (0.49) MEN1KMT2APDE4APDE4BPDE4C

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
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