SCHEMBL18798556

SCHEMBL18798556

CCc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.53
▸ EDNRB P24530 1/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ BCHE P06276 2/20 0.42
▸ CES1 P23141 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACHE P22303 3/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL18798554 0.94 MAOA (0.53) MAOAEDNRBEDNRAALDH1A1L3MBTL1
SCHEMBL393012 0.88 ALDH1A1 (0.64) MAOAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14447667 0.84 ALDH1A1 (0.64) MAOAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL31277051 0.84 ALDH1A1 (0.64) MAOAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL6902971 0.84 MAOA (0.64) MAOAEDNRBEDNRAALDH1A1L3MBTL1
Anthraquinone SCHEMBL28080094 0.84 ALDH1A1 (0.73) MAOAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL16091057 0.82 AKR1B1 (0.54) MAOAEDNRBEDNRAALDH1A1LMNA
SCHEMBL18798553 0.80 MAPT (0.66) EDNRBEDNRAALDH1A1L3MBTL1NPC1
SCHEMBL18798552 0.80 NPC1 (0.71) EDNRBEDNRAALDH1A1L3MBTL1NPC1
SCHEMBL1527421 0.78 MAOA (0.64) MAOAALDH1A1L3MBTL1NPC1RAB9A

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
US-9637565-B2 Photoinitiating system for anionic polymerization UVIC INDUSTRY PARTNERSHIPS INC. (US) 2017-05-02 — — US disclosed
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