SCHEMBL24453062

SCHEMBL24453062

O=C(Cc1ccc(OCC2CO2)c2ccccc12)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MGLL Q99685 3/20 0.34
VDR P11473 1/20 0.32
P2RX4 Q99571 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 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
GCGR P47871 1/20 0.31
TSHR P16473 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
SCHEMBL24453065 0.94 ALDH1A1 (0.34) SLC2A1ALDH1A1GLAMGLLVDR
SCHEMBL24453070 0.84 ALDH1A1 (0.36) SLC2A1ALDH1A1GLAMGLLVDR
SCHEMBL24453063 0.82 MGLL (0.37) ALDH1A1GLAMGLLVDRTDP1
SCHEMBL24452962 0.82 MGLL (0.30) MGLL
SCHEMBL24453066 0.80 ALDH1A1 (0.36) ALDH1A1GLAVDRTDP1IRAK4
SCHEMBL24452957 0.80 MTNR1A (0.40) ALDH1A1LMNAGAAPKMTSHR
SCHEMBL24452958 0.78 ALDH1A1 (0.45) ALDH1A1MGLLTDP1LMNAGAA
SCHEMBL25561054 0.77 TYMS (0.34) SLC2A1
SCHEMBL24453064 0.77 ALDH1A1 (0.46) ALDH1A1MGLLTDP1LMNAGAA
SCHEMBL24453015 0.72 ALDH1A1 (0.43) ALDH1A1GLAMGLLVDRTDP1

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
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