SCHEMBL24453055

SCHEMBL24453055

O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1ccc2ccc(C3CO3)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.31
PARP1 P09874 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 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
SCHEMBL24465266 0.86 PARP1 (0.46) GSTO1PARP1NPC1USP2MAPT
SCHEMBL11953039 0.81 UTS2R (0.41) NPC1MAPTRAB9A
SCHEMBL24453041 0.78 BCHE (0.32) GSTO1PARP1BCHE
SCHEMBL24453030 0.76 HRH3 (0.38) GSTO1PARP1RAB9ABCHE
SCHEMBL20008838 0.75 NPC1 (0.37) NPC1USP2MAPTTSHRRAB9A
SCHEMBL24452995 0.75 MGLL (0.33) TSHR
SCHEMBL24452784 0.74 BCHE (0.33) GSTO1PARP1BCHE
SCHEMBL18775709 0.74 CES2 (0.40) NPC1USP2MAPTTSHRRAB9A
SCHEMBL18775913 0.73 CYP1A2 (0.39) NPC1MAPTRAB9A
SCHEMBL18775772 0.73 MEN1 (0.41) NPC1MAPTRAB9A

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