SCHEMBL9865880

SCHEMBL9865880

CC(C)[S+]([O-])c1cccc(OS(C)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL10745063 0.77 DRD2 (0.32) HCAR1
SCHEMBL9865854 0.76 HCAR1 (0.39) HTR1DHTR1BHTR1FHCAR1
SCHEMBL10744948 0.73 HCAR1 (0.31) HCAR1
SCHEMBL9545465 0.73 LTB4R (0.30)
SCHEMBL9545447 0.71
SCHEMBL10745662 0.70 TXNRD1 (0.34) HTR1DHTR1BHTR1FHCAR1
SCHEMBL7038679 0.70 CCR1 (0.41) HCAR1
SCHEMBL9867638 0.69 FFAR4 (0.34) HCAR1
SCHEMBL10461699 0.68 PTGS2 (0.43) HCAR1
SCHEMBL9867762 0.68 ALDH1A1 (0.37) HCAR1

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-4987141-A DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-22 US disclosed