SCHEMBL9290201

SCHEMBL9290201

COC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2Cl)CCN(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
S1PR5 Q9H228 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL782509 0.88 RAB9A (0.32) EPHX2POLB
SCHEMBL782506 0.85 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL782434 0.85 LMNA (0.32) TSHRL3MBTL1
SCHEMBL769209 0.83 MEN1 (0.37) ALDH1A1MEN1MAPK1KMT2AL3MBTL1
SCHEMBL782638 0.83 OPRM1 (0.30)
SCHEMBL782276 0.82 HDAC3 (0.35) EPHX2MEN1MAPK1KMT2AL3MBTL1
SCHEMBL12071075 0.82 EPHX2 (0.36) EPHX2POLBTSHRALDH1A1MAPT
SCHEMBL769203 0.82 MEN1 (0.32) EPHX2MEN1MAPK1KMT2A
SCHEMBL46135 0.81 EPHX2 (0.35) EPHX2POLBTSHRALDH1A1
SCHEMBL782328 0.81 KCNH2 (0.33) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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