SCHEMBL9966697

SCHEMBL9966697

CCCCSC1=C(CS)S/C(=C2/SC(SC)=C(SCCC(=O)OCC)S2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
HPGD P15428 4/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
BRCA1 P38398 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL9969918 0.90 KDM4E (0.36) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9966695 0.86 KDM4E (0.44) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9966651 0.85 KDM4E (0.34) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9966706 0.84 ALDH1A1 (0.41) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL18862227 0.84 ALDH1A1 (0.45) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9966643 0.83 MAPT (0.33) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9969609 0.80
SCHEMBL18862175 0.79 ALDH1A1 (0.49) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9970235 0.77 KDM4E (0.36) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9966723 0.76 KDM4E (0.37) KDM4EALDH1A1TDP1MAPTKMT2A

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