SCHEMBL9289348

SCHEMBL9289348

COC(=O)C1(OC(=O)Cc2cc(C(F)(F)F)ccc2C)CCN(OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
KCNH2 Q12809 4/20 0.36
CACNA1G O43497 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
EPHX2 P34913 1/20 0.34
ENPP2 Q13822 2/20 0.34
ACACB O00763 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MGLL Q99685 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
SCHEMBL782430 0.80 MAPT (0.35) FFAR4MEN1KMT2A
SCHEMBL769717 0.78 SMN1; SMN2 (0.40) FFAR4KCNH2TSHRMEN1KMT2A
SCHEMBL782510 0.78 MEN1 (0.33) FFAR4TSHRMEN1KMT2A
SCHEMBL782328 0.76 KCNH2 (0.33) KCNH2MEN1KMT2A
SCHEMBL782549 0.76 MAPK8 (0.39) KCNH2CYP2D6MEN1KMT2A
SCHEMBL782542 0.74 KMT2A (0.45) EPHX2MEN1KMT2A
SCHEMBL782578 0.74
SCHEMBL782506 0.74 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL782518 0.74 L3MBTL1 (0.40) KCNH2MEN1KMT2A
SCHEMBL782638 0.74 OPRM1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed