SCHEMBL9970041

SCHEMBL9970041

CCOC(=O)CCSC1=C(SCCC=O)SC(=C2SC(SCCC3COCO3)=C(SCCC3COCO3)S2)S1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
KMT2A Q03164 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
SCHEMBL9969976 0.93 KDM4E (0.31) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL9970601 0.93 KDM4E (0.36) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL9969609 0.82
SCHEMBL9970235 0.75 KDM4E (0.36) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL18862175 0.74 ALDH1A1 (0.49) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL18862227 0.69 ALDH1A1 (0.45) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL9966695 0.68 KDM4E (0.44) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL18862204 0.68 ALDH1A1 (0.44) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL18862169 0.68 ALDH1A1 (0.46) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL9966641 0.66 ALDH1A1 (0.40) KDM4EALDH1A1TDP1MAPTHPGD

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
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