SCHEMBL17483208

SCHEMBL17483208

COC(=O)CCCCCC1(C)C(C)=Nc2ccc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 4/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTPRC P08575 2/20 0.34
PTPN13 Q12923 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTB4R Q15722 1/20 0.34
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20776003 0.89 MAPT (0.34) HDAC8MAPTHSD17B10GAAALDH1A1
SCHEMBL7602622 0.86 ALDH1A1 (0.40) GAAALDH1A1KDM4ELMNATDP1
SCHEMBL10090477 0.86 ALDH1A1 (0.35) HDAC8MAPTHSD17B10GAAALDH1A1
SCHEMBL13264903 0.85 ALDH1A1 (0.36) MAPTHSD17B10GAAALDH1A1KDM4E
SCHEMBL14048648 0.85 TSHR (0.40) GAAALDH1A1KDM4ELMNATDP1
SCHEMBL20767546 0.83 ALDH1A1 (0.35) MAPTHSD17B10GAAALDH1A1KDM4E
SCHEMBL15449164 0.79 LMNA (0.35) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL17483223 0.75 DYRK1A (0.33) HDAC8MAPTHSD17B10GAAALDH1A1
SCHEMBL10037947 0.74 TSHR (0.36) GAAALDH1A1KDM4ELMNALTB4R
SCHEMBL16976282 0.74 CYP1A2 (0.33) MAPTALDH1A1CA1CA2PTPRC

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-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed