SCHEMBL7585689

SCHEMBL7585689

CC(C)CCCC(C)CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.45
KDM1A O60341 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
FDPS P14324 2/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GGPS1 O95749 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MAPK1 P28482 2/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL4090434 0.88 TDP1 (0.51) KDM1ATDP1LMNAL3MBTL1NPC1
SCHEMBL6852447 0.86 TDP1 (0.50) TDP1FDPSALOX5LMNAL3MBTL1
SCHEMBL18837357 0.85 NPC1 (0.55) GSTO1TDP1ALOX5LMNANPC1
SCHEMBL2151820 0.84 KDM4E (0.49) FDPSALOX5LMNAL3MBTL1RAB9A
SCHEMBL4826829 0.82 RARB (0.50) TDP1FDPSALOX5LMNAGGPS1
SCHEMBL13502291 0.81 TDP1 (0.41) GSTO1TDP1FDPSALOX5LMNA
SCHEMBL16340342 0.81 TDP1 (0.58) GSTO1TDP1FDPSALOX5LMNA
SCHEMBL6857008 0.81 TDP1 (0.58) GSTO1TDP1FDPSALOX5LMNA
SCHEMBL7271691 0.80 GSTO1 (0.46) GSTO1TDP1FDPSALOX5LMNA
SCHEMBL7271683 0.80 GSTO1 (0.46) GSTO1TDP1FDPSALOX5NPC1

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-2002100975-A2 (ELECTRO)LUMINESCENT DEVICE WITH AN ORGANIC DYE AS AN ACCEPTOR KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2002-12-19 WO disclosed