SCHEMBL9834341

SCHEMBL9834341

CC(=O)OC1CCC(C)=CCCC1(C)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
CYP19A1 P11511 4/20 0.38
STAT3 P40763 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC25B P30305 2/20 0.35
TAS2R46 P59540 1/20 0.34

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
SCHEMBL9834336 1.00 F10 (0.39) F10FNTAFNTBPGGT1BCYP19A1
SCHEMBL3670481 0.83 FNTA (0.38) F10FNTAFNTBPGGT1BCYP19A1
SCHEMBL3670483 0.83 FNTA (0.38) F10FNTAFNTBPGGT1BCYP19A1
SCHEMBL3670498 0.74 F10 (0.36) F10FNTAFNTBPGGT1BCYP19A1
SCHEMBL3670501 0.74 F10 (0.36) F10FNTAFNTBPGGT1BCYP19A1
SCHEMBL3680738 0.73 STAT3 (0.46) STAT3CYP3A4LMNAMEN1MAPK1
SCHEMBL3680737 0.73 STAT3 (0.46) STAT3CYP3A4LMNAMEN1MAPK1
SCHEMBL3672951 0.71 TAS2R46 (0.41) FNTAFNTBPGGT1BCYP3A4LMNA
SCHEMBL3672947 0.71 TAS2R46 (0.41) FNTAFNTBPGGT1BCYP3A4LMNA
SCHEMBL10046778 0.71 CYP3A4 (0.39) F10CYP19A1CYP3A4LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 WO disclosed
EP-0383469-A1 Herbicidal oxabicyclononane ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-22 EP disclosed