SCHEMBL9489809

SCHEMBL9489809

COC(=O)C1(c2coc(Cc3ccccc3)c2)C(C=C(C)C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ADAM17 P78536 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
SCHEMBL11201982 0.80 IDH1 (0.41) IDH1TDP1
SCHEMBL11528547 0.76 IDH1 (0.38) IDH1TDP1HTT
SCHEMBL9489812 0.76 IDH1 (0.38) IDH1TDP1HTT
SCHEMBL11529812 0.76 IDH1 (0.38) IDH1TDP1HTT
SCHEMBL6908241 0.74 IDH1 (0.36) IDH1
SCHEMBL7536857 0.73 IDH1 (0.40) IDH1TDP1
SCHEMBL7916536 0.73 IDH1 (0.40) IDH1TDP1
SCHEMBL3513116 0.73 IDH1 (0.40) IDH1TDP1
SCHEMBL8321135 0.73 IDH1 (0.40) IDH1TDP1
SCHEMBL5713177 0.73 ADAM17 (0.49) TDP1MEN1KMT2AALDH1A1HTT

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
EP-0097959-A1 Stabilized pesticidal compositions BIO-UCLAF CORPORATION (US) 1984-01-11 EP claimed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed
EP-0117563-B1 PRODUCTION OF ALKYL-5-SUBSTITUTED-3-FUROATE COMPOUNDS BIO-UCLAF CORPORATION (US) 1988-02-03 EP disclosed
US-4477679-A Production of alkyl-5-substituted-3-furoate compounds CPC INTERNATIONAL INC. (US) 1984-10-16 US disclosed
EP-0117563-A2 Production of alkyl-5-substituted-3-furoate compounds BIO-UCLAF CORPORATION (US) 1984-09-05 EP disclosed
US-4193984-A RESMETHRIN AND VANILLIN HERCULITE PROTECTIVE FABRICS CORPORATION (US) 1980-03-18 US disclosed