SCHEMBL10944992

SCHEMBL10944992

CCCCOCCOCCOCCOCc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(COCCOCCOCCOCCCC)cc3)c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
NAAA Q02083 3/20 0.36
ACACB O00763 3/20 0.36
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
APP P05067 1/20 0.35
LTA4H P09960 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL10880914 0.97 L3MBTL1 (0.40) L3MBTL1TDP1ALDH1A1HPGDNAAA
SCHEMBL10941479 0.86 NAAA (0.37) L3MBTL1TDP1NAAAACACBAPP
SCHEMBL10942753 0.84 FFAR1 (0.36) L3MBTL1TDP1NAAAACACBATM
SCHEMBL11111613 0.81 LTA4H (0.53) L3MBTL1TDP1ACACBCYP3A4LTA4H
SCHEMBL10879115 0.77 PLA2G4B (0.41) L3MBTL1TDP1ALDH1A1NAAALMNA
SCHEMBL11028593 0.77 FFAR1 (0.46) ALDH1A1HPGDCYP3A4LMNASMN1; SMN2
SCHEMBL3965126 0.77 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1HPGDNAAA
SCHEMBL30856538 0.77 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1HPGDNAAA
SCHEMBL3969873 0.77 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1HPGDNAAA
SCHEMBL30856524 0.77 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1HPGDNAAA

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-4547317-A CHEMILUMINESCENT FLUORESCENT MIXTURE AMERICAN CYANAMID COMPANY (US) 1985-10-15 US disclosed
US-4450305-A Poly(ethyleneoxy)-substituted-9,10-bis(phenylethynyl)anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-22 US disclosed