SCHEMBL9560929

SCHEMBL9560929

CCCc1ccc(C2(C(F)(F)F)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
PDK2 Q15119 1/20 0.37
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CA2 P00918 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
HTR1D P28221 1/20 0.32
MGLL Q99685 1/20 0.32
PLK1 P53350 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FAAH O00519 1/20 0.31
THRB P10828 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL24196137 0.75 PDK2 (0.39) LPLLIPGPDK2OPRM1OPRD1
SCHEMBL9637914 0.75 NQO1 (0.47) PDK2SLC5A1SLC5A2L3MBTL1
SCHEMBL2173955 0.74 SLC6A3 (0.38) MAOAMAOB
SCHEMBL9560864 0.72 TAAR1 (0.36) CA2
SCHEMBL9560749 0.72 MAOA (0.39) PDK2OPRL1MAOAMAOB
SCHEMBL18969775 0.71 KIF11 (0.40) LPLLIPGPDK2OPRM1OPRD1
SCHEMBL20087810 0.71 MAOB (0.38) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL142480 0.67 LPL (0.62) LPLLIPGCA2MGLLPLK1
SCHEMBL14039531 0.65 LPL (0.45) LPLLIPGPDK2CA2NISCH
SCHEMBL1696674 0.65 TAAR1 (0.61) LPLLIPGKCNH2PLK1MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed