SCHEMBL10030968

SCHEMBL10030968

CCC(COCCOCCOC(=O)c1ccc2sc3ccccc3c(=O)c2c1)(COCCOCCOC(=O)c1ccc2sc3ccccc3c(=O)c2c1)COCCOCCOC(=O)c1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
HCRTR1 O43613 2/20 0.40
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 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
SCHEMBL17914384 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL10030966 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL10030967 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL10030950 0.87 THRB (0.45) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL17914386 0.87 KDM4E (0.34) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL5030843 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL23373094 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL10030969 0.82 THRB (0.40) THRB
SCHEMBL51409 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL29501103 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTRAB9ANPC1

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-8883873-B2 Polymerizable polymeric photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2014-11-11 US disclosed
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US disclosed