SCHEMBL11279541

SCHEMBL11279541

CCC(C=C(Cl)Cl)C(C(=O)OCc1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.34
LMNA P02545 2/20 0.33
ADRA2A P08913 1/20 0.33
CNR1 P21554 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 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
SCHEMBL11282335 0.92 P2RX3 (0.41) P2RX3
SCHEMBL11271875 0.91 SCN9A (0.37) P2RX3MEN1KMT2A
SCHEMBL11275943 0.91 P2RX3 (0.34) P2RX3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11264170 0.86 CARM1 (0.34) TDP1L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL11282323 0.82 P2RX3 (0.35) P2RX3L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL11279540 0.82 P2RX3 (0.43) P2RX3
SCHEMBL11284589 0.82 P2RX3 (0.43) P2RX3
SCHEMBL11273182 0.82 P2RX3 (0.38) P2RX3KDM4EMEN1KMT2AADAMTS4
SCHEMBL11267887 0.81 SCN9A (0.38) P2RX3MEN1KMT2A
SCHEMBL11284538 0.81 P2RX3 (0.35) P2RX3LMNAADRA2ACNR1ATM

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