SCHEMBL8628263

SCHEMBL8628263

O=S(=O)(O)CCc1ccc2coccc1-2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.33
NAT1 P18440 3/20 0.31
ERN1 O75460 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
SCHEMBL2095979 0.74 CSNK2A1 (0.33)
SCHEMBL6599383 0.73 IMPDH2 (0.37) PELI1NAT1ERN1
SCHEMBL1606696 0.72 ALOX5 (0.41)
SCHEMBL4519337 0.71 NAT1 (0.38) NAT1
SCHEMBL28204745 0.70 NAT1 (0.37) NAT1
SCHEMBL28104453 0.70 CSNK2A1 (0.38)
SCHEMBL2774676 0.70 CSNK2A1 (0.34)
SCHEMBL5541410 0.68 ERN1 (0.31) ERN1
SCHEMBL1607734 0.66 NAAA (0.40)
SCHEMBL9031635 0.66 CYP1A2 (0.32)

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
EP-0496751-B1 HERBICIDAL COMBINATIONS OF ACTIVE SUBSTANCES HOECHST SCHERING AGREVO GMBH (DE) 1998-06-10 EP claimed