SCHEMBL8387249

SCHEMBL8387249

CS(=O)(=O)c1c(C(=O)O)ccc(Br)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ERN1 O75460 1/20 0.34
PTPN1 P18031 2/20 0.33

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
SCHEMBL8492137 0.82 CES2 (0.44) ALOX15LMNACA12CA1CA2
SCHEMBL8387170 0.79 LMNA (0.51) ALOX15LMNAALDH1A1MYC
SCHEMBL977553 0.77 ALOX15 (0.40) ALOX15LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL8492263 0.77 HSD17B10 (0.46) ALOX15LMNAHSD17B10ALDH1A1ERN1
SCHEMBL8388409 0.77 ALOX15 (0.37) ALOX15LMNACA12CA1CA2
SCHEMBL3540940 0.75 CYP1A2 (0.44) ALOX15CA12CA1CA2CA7
SCHEMBL26124969 0.75 ALOX15 (0.53) ALOX15LMNACA12CA1CA2
SCHEMBL30172016 0.74 CYP1A2 (0.39) CYP1A2LCKFYNKDM4EASPH
SCHEMBL1511662 0.74 CYP1A2 (0.39) CYP1A2LCKFYNKDM4EASPH
SCHEMBL8505793 0.73 LMNA (0.40) ALOX15LMNACA1CA2HSD17B10

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
US-5856274-A 4-benzoyl isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-05 US disclosed
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP disclosed