SCHEMBL28638698

SCHEMBL28638698

CC[P+](CC)(CC)CC.CC[P+](CC)(CC)CC.O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
TIMP3 P35625 2/20 0.33
S1PR3 Q99500 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ING2 Q9H160 1/20 0.32
LMNA P02545 1/20 0.31
SNCA P37840 1/20 0.31
ALDH1A1 P00352 4/20 0.31
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31
TSHR P16473 1/20 0.31
NT5E P21589 1/20 0.31
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28638813 0.88 LCK (0.41) LCKFYNS1PR3CA1CA2
Butane SCHEMBL6855826 0.86 LCK (0.52) LCKFYNTIMP3S1PR3CA1
Butane SCHEMBL6296727 0.86 LCK (0.52) LCKFYNTIMP3S1PR3CA1
Butane SCHEMBL18192040 0.86 LCK (0.52) LCKFYNTIMP3S1PR3CA1
SCHEMBL28639304 0.85 LCK (0.55) LCKFYNTIMP3CA1CA2
SCHEMBL1704273 0.84 LCK (0.43) LCKFYNS1PR3CA1CA2
SCHEMBL258409 0.83 LCK (0.61) LCKFYNTIMP3CA1CA2
SCHEMBL18192037 0.83 LCK (0.61) LCKFYNTIMP3CA1CA2
SCHEMBL6850489 0.83 LCK (0.61) LCKFYNTIMP3CA1CA2
Lithium Ion SCHEMBL433795 0.83 LCK (0.61) LCKFYNTIMP3CA1CA2

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
CN-112831042-A Antistatic polyester composition, preparation method thereof and polyester film 东丽纤维研究所(中国)有限公司 2021-05-25 CN disclosed