SCHEMBL9323062

SCHEMBL9323062

CS(=O)(=O)c1c(C(=O)O)ccc(Cl)c1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ RHEB Q15382 2/20 0.39
▸ CCR2 P41597 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ STK39 Q9UEW8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL370836 0.79 ALDH1A1 (0.43) LMNARHEBPTGS1PTGS2ALDH1A1
SCHEMBL14920304 0.76 PTGS1 (0.44) RHEBPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL9114683 0.75 PTGS1 (0.33) RHEBPTGS1PTGS2
SCHEMBL8492178 0.74 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL8406918 0.73 ALDH1A1 (0.57) LMNACCR2PTGS2ALDH1A1CYP2C9
SCHEMBL8387170 0.72 LMNA (0.51) LMNAALDH1A1ALOX15
SCHEMBL8388401 0.72 LMNA (0.54) LMNAALDH1A1KDM4EHSD17B10CA12
SCHEMBL8491404 0.72 TSHR (0.55) LMNACCR2PTGS2ALDH1A1CYP2C9
SCHEMBL9322192 0.71 ALDH1A1 (0.45) LMNAPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL8070593 0.70 LMNA (0.47) LMNACCR2MCL1CA12CA1

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-5371064-A Herbicidal 4-benzoylisoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1994-12-06 — — US disclosed
EP-0580439-A1 Benzoylisoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1994-01-26 — — EP disclosed
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