SCHEMBL10947824

SCHEMBL10947824

CC(C)(C(=O)c1ccc2c(c1)C(=O)c1ccccc1C2)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAOA P21397 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SRD5A2 P31213 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ PLA2G7 Q13093 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 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
SCHEMBL10943941 0.98 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10943467 0.94 ALDH1A1 (0.41) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10941113 0.91 ALDH1A1 (0.38) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10945183 0.90 CES1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10941099 0.88 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL9680508 0.86 NPC1 (0.60) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10943297 0.86 ALDH1A1 (0.49) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL9680435 0.85 SRD5A1 (0.48) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL9680419 0.85 NPC1 (0.63) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL10946337 0.85 NPC1 (0.59) L3MBTL1ALDH1A1NPC1RAB9AGAA

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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