SCHEMBL14337698

SCHEMBL14337698

CCCC[C@@H](CC)COc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
MAPK1 P28482 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 5/20 0.44
CA2 P00918 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL677334 1.00 TDP1 (0.52) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL14645485 0.93 TDP1 (0.50) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL13321986 0.93 TDP1 (0.50) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL1356320 0.91 ALDH1A1 (0.50) TDP1MAPK1ALDH1A1CYP3A4CA2
SCHEMBL18493494 0.91 TDP1 (0.46) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL17203010 0.91 TDP1 (0.46) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL1357035 0.91 ALDH1A1 (0.50) TDP1MAPK1ALDH1A1CYP3A4CA2
SCHEMBL15496895 0.89 MAPK1 (0.48) TDP1MAPK1KDM4EALDH1A1CYP3A4
SCHEMBL20173388 0.87 KDM4E (0.52) TDP1MAPK1KDM4EALDH1A1MEN1
SCHEMBL28700702 0.86 KDM1A (0.46) TDP1MAPK1KDM4EALDH1A1CYP3A4

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
US-20070278455-A1 Polymer compound and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-12-06 US disclosed