SCHEMBL25524547

SCHEMBL25524547

CCCCCCCCCC(=O)Oc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA2 P00918 4/20 0.48
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL28849786 0.85 ALDH1A1 (0.63) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL12748075 0.84 KDM4E (0.50) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL3691554 0.83 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL20594289 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL20594294 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL30998126 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL20594287 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL30998136 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL20594371 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1
SCHEMBL30998120 0.82 KDM4E (0.62) ALDH1A1TDP1KDM4EMAPTNPC1

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