SCHEMBL11268087

SCHEMBL11268087

CC(C)C(C(=O)OCc1cc2ccccc2c(Oc2ccccc2)n1)C(C)C=C(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 2/20 0.34
FFAR1 O14842 1/20 0.34
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
ADRA2A P08913 1/20 0.32
CNR1 P21554 1/20 0.32
ATM Q13315 1/20 0.32
APP P05067 1/20 0.32
PTGS1 P23219 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11283712 0.84 TOP2A (0.37) LMNATP53THRBTOP2ATOP2B
SCHEMBL11266028 0.82 PLA2G10 (0.35) LMNATOP2ATOP2BL3MBTL1TDP1
SCHEMBL11281949 0.79 PTGS1 (0.31) LMNAFFAR1HTTTDP1PTGS1
SCHEMBL11269114 0.78 PLA2G10 (0.44) LMNATP53TOP2ATOP2BHTT
SCHEMBL11277217 0.75 TOP2A (0.36) LMNATP53THRBTOP2ATOP2B
SCHEMBL11266232 0.73 CARM1 (0.36) L3MBTL1TDP1ATMPTGS1KMT2A
SCHEMBL11280499 0.71 ALDH1A1 (0.31) TDP1ALDH1A1KDM4E
SCHEMBL11276790 0.71 ALDH1A1 (0.38) TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11283401 0.71 LMNA (0.35) LMNATP53FFAR1TOP2ATOP2B
SCHEMBL11284589 0.71 P2RX3 (0.43)

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
US-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed