SCHEMBL28312216

SCHEMBL28312216

C=C(C)C(=O)CCc1ccc(Nc2ccc(Nc3ccc(CCC(=O)C(=C)C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MTOR P42345 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ PRKCA P17252 1/20 0.44
▸ P2RY4 P51582 5/20 0.43
▸ P2RY2 P41231 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL261845 0.82 MAPT (0.55) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL29462117 0.82 MAPT (0.55) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL375688 0.79 LMNA (0.87) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL13135365 0.79 NPC1 (0.65) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL261844 0.79 NPC1 (0.56) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL13178023 0.78 MAPT (0.64) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL20274482 0.78 NPC1 (0.50) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL14838826 0.77 MEN1 (0.47) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL10732288 0.77 NPC1 (0.62) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL9915558 0.77 NPC1 (0.48) NPC1RAB9ALMNAMAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272535-A Processing hydroxycarboxylic acids into polymers 希乐克公司 2019-09-24 — — CN disclosed
CN-110272534-A Processing hydroxycarboxylic acids into polymers 希乐克公司 2019-09-24 — — CN disclosed
CN-105142768-B Processing hydroxycarboxylic acids into polymers 希乐克公司 2019-07-30 — — CN disclosed
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