SCHEMBL9966658

SCHEMBL9966658

CCOC(=O)CCSC1=C(SCCC(=O)OCC)SC(=CC=C2SC3=C(SCSC4=C(SCS3)SC(=CC=C3SC(CC)=C(CC)S3)S4)S2)S1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.34
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
GLA P06280 1/20 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
SCHEMBL9966666 0.96 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966717 0.95 KDM4E (0.34) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966635 0.85 KDM4E (0.38) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL18862169 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966709 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL18862207 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966665 0.78 HPGD (0.36) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966692 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966707 0.74 KDM4E (0.35) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL18862175 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1TSHRHPGD

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