SCHEMBL24453063

SCHEMBL24453063

O=C(Cc1cc(OCC2CO2)c2ccccc2c1)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
REN P00797 1/20 0.33
VDR P11473 1/20 0.31
BCHE P06276 1/20 0.31
MCL1 Q07820 1/20 0.30
PDK1 Q15118 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL24453077 0.85 PTGDR2 (0.33) MGLLBCHE
SCHEMBL24453062 0.82 SLC2A1 (0.36) MGLLALDH1A1GLAVDRTDP1
SCHEMBL24452959 0.81 ALDH1A1 (0.39) MGLLALDH1A1TDP1
SCHEMBL24453064 0.81 ALDH1A1 (0.46) MGLLALDH1A1TDP1
SCHEMBL24453065 0.80 ALDH1A1 (0.34) MGLLALDH1A1GLAVDR
SCHEMBL24452958 0.80 ALDH1A1 (0.45) MGLLALDH1A1TDP1
SCHEMBL24452957 0.78 MTNR1A (0.40) ALDH1A1
SCHEMBL24453070 0.76 ALDH1A1 (0.36) MGLLALDH1A1GLAVDRBCHE
SCHEMBL24452519 0.76 ALDH1A1 (0.37) MGLLALDH1A1GLARENPDK1
SCHEMBL24452529 0.74 ACP1 (0.39) ALDH1A1GLARENBCHETDP1

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