SCHEMBL9966692

SCHEMBL9966692

CCCCSC1=C(SCCCC)SC(=CC=C2SC(SCCC(=O)OCC)=C(SCCC(=O)OCC)S2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL18862169 0.93 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL18862207 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966695 0.87 KDM4E (0.44) ALDH1A1KDM4ETDP1TSHRABL1
SCHEMBL9966709 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966635 0.81 KDM4E (0.38) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL18862175 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966658 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL9966723 0.77 KDM4E (0.37) ALDH1A1KDM4ETDP1TSHRABL1
SCHEMBL9966707 0.77 KDM4E (0.35) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL9966666 0.76 ALDH1A1 (0.34) 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