SCHEMBL7428431

SCHEMBL7428431

CCC1=C(C)OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.37
▸ ACP1 P24666 2/20 0.37
▸ CDC25B P30305 2/20 0.37
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 8/20 0.32
▸ HTT P42858 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30

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
SCHEMBL8068906 0.81 PTPN1 (0.34) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL8205778 0.78 PTPN1 (0.40) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL21996373 0.76 PTPN1 (0.39) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL30457001 0.72 ALDH1A1 (0.38) PTPN1ACP1CDC25BHSD17B10ALDH1A1
SCHEMBL10572506 0.72 PTPN1 (0.40) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL3937204 0.71 PTGS2 (0.32) —
SCHEMBL16148400 0.70 PTPN1 (0.37) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL9730908 0.69 — —
SCHEMBL10519826 0.68 PTPN1 (0.38) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL10519639 0.68 PTPN1 (0.38) PTPN1ACP1CDC25BLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 — — EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 — — WO disclosed
EP-0638563-B1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1997-10-15 — — EP disclosed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 — — US disclosed
EP-0638563-A1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1995-02-15 — — EP disclosed
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