SCHEMBL18798554

SCHEMBL18798554

CCc1ccc(-c2ccc3c(c2)Cc2ccccc2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ EDNRB P24530 1/20 0.47
▸ EDNRA P25101 1/20 0.47
▸ TDP2 O95551 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ BCHE P06276 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ ACHE P22303 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
SCHEMBL18798556 0.94 MAOA (0.53) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31277051 0.88 ALDH1A1 (0.64) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14447667 0.88 ALDH1A1 (0.64) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL393012 0.84 ALDH1A1 (0.64) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1527421 0.84 MAOA (0.64) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
Anthraquinone SCHEMBL28080094 0.84 ALDH1A1 (0.73) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1906502 0.82 MMP12 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16091059 0.82 MMP12 (0.58) MAOAALDH1A1LMNAMMP12MMP13
SCHEMBL24234744 0.80 MAOA (0.62) MAOAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18798553 0.80 MAPT (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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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