SCHEMBL21668014

SCHEMBL21668014

COc1cc(C(C)C)c(C)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
P2RX3 P56373 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
HTR2A P28223 4/20 0.43
TAAR1 Q96RJ0 2/20 0.43

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
SCHEMBL131811 0.92 POLB (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL28301547 0.84 POLB (0.50) POLBGAAGFERP2RX3P2RX2
SCHEMBL18712666 0.83 P2RX3 (0.48) POLBGAAGFERP2RX3P2RX2
SCHEMBL13748156 0.83 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL2758296 0.83 GAA (0.57) POLBGAAGFERP2RX3P2RX2
SCHEMBL24371606 0.81 GAA (0.50) POLBGAAGFERP2RX3P2RX2
SCHEMBL14646980 0.81 POLB (0.60) POLBGAAGFERP2RX3P2RX2
SCHEMBL4064857 0.79 P2RX3 (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL1494155 0.78 P2RX3 (0.44) P2RX3P2RX2HTR2ATAAR1
SCHEMBL2862226 0.78 L3MBTL1 (0.50) POLBHTR2ATAAR1

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
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed