SCHEMBL10945183

SCHEMBL10945183

CC(C)(C(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1CC2)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 4/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SRD5A1 P18405 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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 0.94 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL10943941 0.93 L3MBTL1 (0.44) CES1L3MBTL1ALDH1A1GAANPC1
SCHEMBL10947824 0.90 L3MBTL1 (0.45) CES1L3MBTL1ALDH1A1GAANPC1
SCHEMBL9680435 0.90 SRD5A1 (0.48) CES1L3MBTL1ALDH1A1GAANPC1
SCHEMBL10940145 0.89 MAPK14 (0.45) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL10944742 0.88 ALDH1A1 (0.49) CES1L3MBTL1ALDH1A1GAARAB9A
SCHEMBL10941113 0.86 ALDH1A1 (0.38) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL10946337 0.85 NPC1 (0.59) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL9680508 0.83 NPC1 (0.60) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL10943467 0.83 ALDH1A1 (0.41) L3MBTL1ALDH1A1GAANPC1RAB9A

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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