SCHEMBL7107876

SCHEMBL7107876

CCS(=O)(=O)n1c(Oc2cc(C)ccc2C)noc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL7109054 0.84 TSHR (0.38) HSD17B10TP53HTTTSHRMAPT
SCHEMBL7487252 0.71 KMT2A (0.43) HTTTSHRMAPTUSP2KMT2A
SCHEMBL3278966 0.63 ACHE (0.50) HTTTSHRKMT2AGAATDP1
SCHEMBL6937345 0.58 CA1 (0.55) HSD17B10HTTTSHRKMT2AGAA
SCHEMBL5608623 0.58 SLC6A4 (0.47) TSHRMAPTKMT2AGAATDP1
SCHEMBL92174 0.58 ACHE (0.68) HTTTSHRMAPTUSP2KMT2A
SCHEMBL30167567 0.58 ACHE (0.68) HTTTSHRMAPTUSP2KMT2A
SCHEMBL9849819 0.58 NSD2 (0.53) TP53HTTTSHRMAPTALOX15
SCHEMBL148506 0.57 TSHR (0.55) HSD17B10HTTTSHRMAPTUSP2
Formaldehyde SCHEMBL27962744 0.57 ACHE (0.60) HTTTSHRMAPTMCOLN3USP2

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
EP-0984948-B1 SULFONYLOXADIAZOLONES BAYER CROPSCIENCE AG (DE) 2003-09-24 — — EP disclosed
US-6100281-A MICROBIOCIDES FOR CROP PROTECTION AND PRESERVATION OF ORGANIC MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 — — US disclosed
EP-0984948-A1 SULFONYLOXADIAZOLONES BAYER AG (DE) 2000-03-15 — — EP disclosed
WO-1998047883-A1 SULFONYLOXADIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 — — WO disclosed
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