SCHEMBL27348288

SCHEMBL27348288

Cc1ccc(Br)cc1[S+](C)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL31401275 0.81 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL31426534 0.78 DGAT1 (0.34) ALDH1A1
SCHEMBL18738928 0.77 TDP1 (0.41) ALDH1A1RAPGEF4
SCHEMBL31090436 0.77
SCHEMBL16234734 0.77
SCHEMBL19409342 0.76 ALOX15 (0.39) ALDH1A1MAPK1
SCHEMBL20220003 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1
SCHEMBL27431129 0.74 CYP3A4 (0.45) ALDH1A1RAPGEF4
SCHEMBL13040418 0.74 TDP1 (0.38) ALDH1A1MAPK1
SCHEMBL30015975 0.74 TDP1 (0.38) ALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093537-C Process for preparing composition contg. 4 -benzoyl-iso-oxazole derivs. PHONE POULENC AGRICULTURE LTD (GB) 2002-10-30 CN disclosed
CN-1061596-A 4-Benzoylisoxazole Derivatives RHONE POULENC AGRICULTURE (GB) 1992-06-03 CN disclosed