SCHEMBL4745748

SCHEMBL4745748

CCC(Br)CCC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
LMNA P02545 2/20 0.50
NR4A2 P43354 1/20 0.50
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HDAC1 Q13547 2/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL2848344 0.82 L3MBTL1 (0.51) L3MBTL1MAPTTDP1LMNASMN1; SMN2
SCHEMBL4748161 0.82 L3MBTL1 (0.51) L3MBTL1MAPTTDP1LMNASMN1; SMN2
SCHEMBL9815171 0.82 L3MBTL1 (0.51) L3MBTL1MAPTTDP1LMNASMN1; SMN2
SCHEMBL2084869 0.81 L3MBTL1 (0.53) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL5196279 0.81 TSHR (0.55) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL11280841 0.81 TDP1 (0.57) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL11104045 0.80 L3MBTL1 (0.52) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL15661338 0.80 L3MBTL1 (0.52) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL1283829 0.80 L3MBTL1 (0.52) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL8570586 0.79 L3MBTL1 (0.50) L3MBTL1MAPTTDP1LMNANR4A2

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
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed