SCHEMBL23399752

SCHEMBL23399752

CCCCc1[nH]n(CC(C)C)c(=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL23400936 0.90 MEN1 (0.35) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23400921 0.87 ALDH1A1 (0.33) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23401616 0.83 KDM4E (0.33) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL23399380 0.83 SMN1; SMN2 (0.36) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23401231 0.83 ALDH1A1 (0.33) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23400440 0.83 ALDH1A1 (0.33) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23401351 0.83 ALDH1A1 (0.33) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23402360 0.83 ALDH1A1 (0.33) ALDH1A1MEN1POLBMAPTHPGD
SCHEMBL23399506 0.81 KDM4E (0.34) ALDH1A1MEN1MAPTHPGDHTT
SCHEMBL23403478 0.81 PDE4A (0.38) ALDH1A1MEN1MAPTHPGDHTT

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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