SCHEMBL18507052

SCHEMBL18507052

O=C1CCCCCCCCCN1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 1/20 0.34
MITF O75030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7114325 1.00
SCHEMBL4761672 0.97
SCHEMBL1098210 0.89
SCHEMBL9352370 0.86
SCHEMBL9600797 0.74
SCHEMBL11382367 0.72 BRD4 (0.42) BRD4BRD2ALDH1A1MAPTHSD17B10
SCHEMBL23430212 0.71 BRD4 (0.39) BRD4BRD2ALDH1A1MAPTHSD17B10
SCHEMBL14914147 0.70
SCHEMBL3053956 0.70 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTHSD17B10
SCHEMBL15062197 0.70 ALDH1A1 (0.40) BRD4BRD2ALDH1A1MAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377906-B2 Composition for rheology control BYK-CHEMIE GMBH (DE) 2019-08-13 US disclosed
US-20170240748-A9 COMPOSITION FOR RHEOLOGY CONTROL BYK-CHEMIE GMBH (DE) 2017-08-24 US disclosed
US-20170044378-A1 COMPOSITION FOR RHEOLOGY CONTROL BYK CHEMIE GMBH (DE) 2017-02-16 US disclosed