SCHEMBL8388409

SCHEMBL8388409

CSc1c(Br)ccc(C(=O)O)c1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL8387593 0.81 LMNA (0.49) ALOX15LMNAMCL1ALDH1A1TSHR
SCHEMBL8391702 0.79 LCK (0.40) ALOX15LCKFYNHSD17B10MCL1
SCHEMBL8387249 0.77 ALOX15 (0.39) ALOX15LMNALCKFYNHSD17B10
SCHEMBL26124969 0.76 ALOX15 (0.53) ALOX15LMNAHSD17B10CA12CA9
SCHEMBL17395308 0.76 GPR35 (0.40) LMNALCKFYNHSD17B10MCL1
SCHEMBL17395316 0.75 KDM4E (0.37) ALOX15LCKFYNHSD17B10CA12
SCHEMBL8492263 0.74 HSD17B10 (0.46) ALOX15LMNALCKFYNHSD17B10
SCHEMBL8492758 0.74 LCK (0.39) ALOX15LCKFYNHSD17B10MCL1
SCHEMBL8308572 0.73 MCL1 (0.41) LCKFYNHSD17B10CA12CA9
SCHEMBL8388404 0.71 LCK (0.37) ALOX15LCKFYNHSD17B10CA12

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 4 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
EP-0682659-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES. RHONE POULENC AGRICULTURE (GB) 1995-11-22 EP disclosed
WO-1994018179-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD (GB) 1994-08-18 WO disclosed