SCHEMBL5310309

SCHEMBL5310309

CCCCCCCCCCCOc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN11 Q06124 1/20 0.45
ADRB2 P07550 1/20 0.44
AR P10275 2/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL1046904 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL28337685 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9206767 0.99 KDM4E (0.49) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9213633 0.90 ADRB2 (0.48) KDM4EALDH1A1ADRB2ARMEN1
SCHEMBL15522393 0.87 AR (0.51) KDM4EALDH1A1HTTARMEN1
SCHEMBL6635341 0.86 AR (0.44) KDM4EALDH1A1ADRB2ARMEN1
SCHEMBL27786320 0.85 KDM4E (0.58) KDM4EALDH1A1L3MBTL1PTPN11ADRB2
SCHEMBL28207267 0.85 KDM4E (0.58) KDM4EALDH1A1L3MBTL1PTPN11ADRB2
SCHEMBL28141538 0.85 LTA4H (0.56) KDM4ETSHRPTPN11ADRB2MEN1
SCHEMBL28142366 0.85 LTA4H (0.56) KDM4ETSHRPTPN11ADRB2MEN1

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-2007037575-A1 POLAR NEMATIC LIQUID CRYSTAL ASSEMBLY AND LIQUID CRYSTAL DEVICE USING THE SAME Korea University Industry and Academy Cooperation Foundation (KR) 2007-04-05 WO disclosed