SCHEMBL10940145

SCHEMBL10940145

CC(C)(C(=O)c1ccc2c(c1)CCc1ccc(C(=O)C(C)(C)N3CCCCC3)cc1C2=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 17/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ MITF O75030 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10942691 0.92 SMN1; SMN2 (0.40) MAPK14NPC1ALDH1A1GAARAB9A
SCHEMBL9680435 0.91 SRD5A1 (0.48) MAPK14NPC1ALDH1A1GAARAB9A
SCHEMBL10945183 0.89 CES1 (0.44) MAPK14NPC1ALDH1A1GAARAB9A
SCHEMBL9681137 0.88 ALDH1A1 (0.50) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL10943467 0.87 ALDH1A1 (0.41) MAPK14NPC1ALDH1A1GAARAB9A
SCHEMBL10943943 0.85 ALDH1A1 (0.54) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL10948642 0.85 ALDH1A1 (0.54) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL10941113 0.84 ALDH1A1 (0.38) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL10944726 0.84 ALDH1A1 (0.52) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL10947824 0.84 L3MBTL1 (0.45) NPC1ALDH1A1GAARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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