SCHEMBL24453065

SCHEMBL24453065

O=C(Cc1cccc2c(OCC3CO3)cccc12)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
MGLL Q99685 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
VDR P11473 1/20 0.31
P2RX4 Q99571 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SLC2A1 P11166 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL24453062 0.94 SLC2A1 (0.36) ALDH1A1GLAMGLLIRAK4LMNA
SCHEMBL24453066 0.84 ALDH1A1 (0.36) ALDH1A1GLAIRAK4LMNAGAA
SCHEMBL24452957 0.84 MTNR1A (0.40) ALDH1A1LMNAGAAPKMTP53
SCHEMBL24453070 0.80 ALDH1A1 (0.36) ALDH1A1GLAMGLLIRAK4LMNA
SCHEMBL24453063 0.80 MGLL (0.37) ALDH1A1GLAMGLLVDR
SCHEMBL24452962 0.80 MGLL (0.30) MGLL
SCHEMBL24453064 0.79 ALDH1A1 (0.46) ALDH1A1MGLLLMNAGAAPKM
SCHEMBL24452958 0.78 ALDH1A1 (0.45) ALDH1A1MGLLLMNAGAAPKM
SCHEMBL24452959 0.74 ALDH1A1 (0.39) ALDH1A1MGLLLMNAGAAPKM
SCHEMBL25561054 0.71 TYMS (0.34) SLC2A1

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed