SCHEMBL25524531

SCHEMBL25524531

CC#CC#CC#CC#COc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ PTPN7 P35236 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN12 Q05209 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.40
▸ HPGD P15428 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HCRTR1 O43613 2/20 0.36
▸ POLB P06746 2/20 0.36

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
SCHEMBL25524522 0.77 MAOA (0.60) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL1880565 0.76 ALDH1A1 (1.00) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL29359913 0.76 ALDH1A1 (1.00) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL29372602 0.76 ALDH1A1 (1.00) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL8060923 0.73 ALDH1A1 (0.71) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL25341613 0.72 MAPT (0.70) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL20594362 0.72 MAPT (0.70) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL274964 0.72 KDM4E (0.70) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL3233829 0.71 MAPT (0.68) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL30998124 0.71 MAPT (0.68) MAPTALDH1A1NPC1RAB9AKDM4E

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-20230159706-A1 FREE-RADICAL PHOTOINITIATORS AND USES OF SAME IN SILICONE COMPOSITIONS UNIVERSITE DE HAUTE ALSACE (FR) 2023-05-25 — — US disclosed
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