SCHEMBL9256967

SCHEMBL9256967

OCCCCCCCCOc1cccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
RXRA P19793 1/20 0.37
HTR1A P08908 1/20 0.37
PDK2 Q15119 3/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ADRB1 P08588 1/20 0.35
CNR2 P34972 1/20 0.35
LTB4R Q15722 2/20 0.34
IDH2 P48735 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
SYK P43405 1/20 0.34
GRM5 P41594 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
SCHEMBL19743626 0.79 P2RX7 (0.41) P2RX7RXRAHTR1AGRIN1GRIN2B
SCHEMBL9253185 0.76 CNR2 (0.37) HTR1APDK2CNR2LTB4R
SCHEMBL12747736 0.76 HTR7 (0.57) CNR2LTB4R
SCHEMBL31608506 0.75 GRM5 (0.50) P2RX7RXRAGRIN1GRIN2BADRB1
SCHEMBL13064185 0.75 GRM5 (0.50) P2RX7RXRAGRIN1GRIN2BADRB1
SCHEMBL13096876 0.74 CA2 (0.42) PDK2SYK
SCHEMBL15532864 0.73 CDK9 (0.37) HTR1ACNR2LTB4R
SCHEMBL12747728 0.73 HTR7 (0.58) CNR2LTB4R
SCHEMBL32682038 0.73 KMT2A (0.46) P2RX7
SCHEMBL22397018 0.73 KMT2A (0.46) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380732-A Pesticidal compounds ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
EP-0269457-B1 PESTICIDAL COMPOUNDS ROUSSEL-UCLAF (FR) 1993-02-03 EP disclosed
US-5006658-A Acaricides THE WELLCOME FOUNDATION LTD. (GB) 1991-04-09 US disclosed