SCHEMBL24453070

SCHEMBL24453070

O=C(OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)c1ccc(OCC2CO2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
VDR P11473 1/20 0.33
DHFR P00374 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GCGR P47871 1/20 0.32
SLC2A1 P11166 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
MGLL Q99685 2/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL24453066 0.94 ALDH1A1 (0.36) ALDH1A1GLAVDRDHFRTDP1
SCHEMBL24453062 0.84 SLC2A1 (0.36) ALDH1A1GLAVDRTDP1LMNA
SCHEMBL24453046 0.81 BCHE (0.31) BCHE
SCHEMBL24453065 0.80 ALDH1A1 (0.34) ALDH1A1GLAVDRLMNAGAA
SCHEMBL24453034 0.79 ALDH1A1 (0.39) ALDH1A1TDP1LMNAGAAPKM
SCHEMBL24452786 0.77 BCHE (0.31) BCHE
SCHEMBL24452536 0.77 ALDH1A1 (0.47) ALDH1A1TDP1LMNAGAAPKM
SCHEMBL25560943 0.76 TYMS (0.35)
SCHEMBL24465357 0.76 DHFR (0.40) ALDH1A1GLAVDRDHFRTDP1
SCHEMBL24452530 0.76 MCL1 (0.45) ALDH1A1GLAVDRTDP1LMNA

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