SCHEMBL8007655

SCHEMBL8007655

O=C(O)C(C(=O)C1CC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.61
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL8004702 0.80 KMT2A (0.53) ALDH1A1LMNARECQLMEN1KMT2A
SCHEMBL9721500 0.79 THRB (0.53) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL148725 0.78 SRC (1.00) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL70165 0.78 SRC (1.00) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL19707707 0.78 LMNA (0.56) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL11839517 0.77 KMT2A (0.43) SRCCYP2D6ALDH1A1LMNAMEN1
SCHEMBL241642 0.76 CES2 (0.57) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL3761182 0.76 ALDH1A1 (0.44) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL70407 0.76 FAAH (0.57) ALDH1A1LMNARECQLKMT2A
SCHEMBL12861930 0.76 FAAH (0.57) ALDH1A1LMNARECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028032-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD. (GB) 2000-02-22 US disclosed
EP-0577712-B1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES DU PONT (US) 1998-07-29 EP disclosed
EP-0833821-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-08 EP disclosed
WO-1997000865-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-01-09 WO disclosed
EP-0577712-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-12 EP disclosed
WO-1992016515-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 WO disclosed