SCHEMBL9966723

SCHEMBL9966723

CCCCCCSC1=C(SCCCCCC)SC(=C2SC(SCCCC)=C(SCSC3=C(SCCC(=O)OCC)S/C(=C4\SC(SCCCC)=C(SCSC5=C(SCCC(=O)OCC)SC(=C6SC(C)=C(C)S6)S5)S4)S3)S2)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DGKA P23743 1/20 0.34
ABL1 P00519 1/20 0.34
TSHR P16473 1/20 0.34
RIN1 Q13671 1/20 0.34
PTGS2 P35354 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KMT2A Q03164 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
PAM P19021 2/20 0.32
GLA P06280 1/20 0.32
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32

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
SCHEMBL9966695 0.89 KDM4E (0.44) KDM4EALDH1A1TDP1DGKAABL1
SCHEMBL9966646 0.82
SCHEMBL18862175 0.82 ALDH1A1 (0.49) KDM4EALDH1A1TDP1TSHRMAPT
SCHEMBL14866131 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL14866134 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL14866013 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL14866029 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL9966641 0.78 ALDH1A1 (0.40) KDM4EALDH1A1TDP1TSHRMAPT
SCHEMBL14866008 0.77 MAPT (0.46) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL9966692 0.77 ALDH1A1 (0.41) KDM4EALDH1A1TDP1DGKAABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650392-B2 Electrode active material for power storage device, power storage device, and electronic and transportation device PANASONIC CORPORATION (JP) 2017-05-16 US disclosed
US-20120156572-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE, POWER STORAGE DEVICE, AND ELECTRONIC AND TRANSPORTATION DEVICE PANASONIC CORPORATION (JP) 2012-06-21 US disclosed