SCHEMBL11270557

SCHEMBL11270557

COC(=O)C(c1cccc(Oc2ccc(Cl)cc2)n1)(C(C)C)C(C=C(Cl)Cl)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11267834 0.91 SCN9A (0.38) P2RX3ATMFPR2SCN9AMEN1
SCHEMBL11279536 0.91 P2RX3 (0.39) P2RX3KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL11274647 0.89 ADAMTS4 (0.36) P2RX3KDM4ECYP2C9FPR2SCN9A
SCHEMBL11282333 0.87 P2RX3 (0.39) P2RX3KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL11273179 0.84 FPR2 (0.37) P2RX3KDM4EFPR2SCN9AMEN1
SCHEMBL11284587 0.83 P2RX3 (0.40) P2RX3FPR2SCN9A
SCHEMBL11267883 0.82 SCN9A (0.38) P2RX3ATMFPR2SCN9AMEN1
SCHEMBL11275031 0.82 FPR2 (0.36) P2RX3KDM4EFPR2SCN9AL3MBTL1
SCHEMBL11282320 0.80 FPR2 (0.35) P2RX3KDM4ECYP2C9FPR2SCN9A
SCHEMBL11273154 0.79 L3MBTL1 (0.38) KDM4ECYP1A2CYP2C9CYP2C19ATM

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