SCHEMBL9966641

SCHEMBL9966641

CCOC(=O)CCSC1=C(SCSC2=C(CC)SC(=C3SC(SCCC(=O)OCC)=C(SCCC(=O)OCC)S3)S2)SC(=C2SC(CC)=C(CC)S2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 6/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
GLA P06280 1/20 0.34
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 3/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL9966651 0.88 KDM4E (0.34) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966635 0.86 KDM4E (0.38) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL18862175 0.86 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966706 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL18862227 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL18862204 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966695 0.79 KDM4E (0.44) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966723 0.78 KDM4E (0.37) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966665 0.77 HPGD (0.36) ALDH1A1KDM4ETDP1KMT2AMAPT
SCHEMBL9966666 0.77 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1KMT2AMAPT

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