SCHEMBL11277217

SCHEMBL11277217

CCC(C=C(Cl)Cl)C(C(=O)OCc1cc(Oc2ccccc2)c2ccccc2n1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
SCN9A Q15858 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
P2RY12 Q9H244 1/20 0.33
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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 0.91 TOP2A (0.37) TOP2ATOP2BSCN9AHTR3EHTR3B
SCHEMBL11279541 0.80 P2RX3 (0.34) LMNAKDM4EGPBAR1CYSLTR1TP53
SCHEMBL11268087 0.75 LMNA (0.35) TOP2ATOP2BLMNAKDM4ECYSLTR1
SCHEMBL11264170 0.75 CARM1 (0.34) KDM4ETSHRGAA
SCHEMBL11269114 0.74 PLA2G10 (0.44) TOP2ATOP2BSCN9ALMNAKDM4E
SCHEMBL11282335 0.73 P2RX3 (0.41)
SCHEMBL11275943 0.72 P2RX3 (0.34) TSHRGAA
SCHEMBL11271875 0.72 SCN9A (0.37) SCN9A
SCHEMBL11275322 0.71 ALDH1A1 (0.36) TOP2ATOP2BLMNAKDM4E
SCHEMBL11272118 0.71 TOP2A (0.32) TOP2ATOP2BLMNAKDM4E

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