SCHEMBL20346124

SCHEMBL20346124

CCCCOc1ccc(CCC2CCC(CCC)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
KCNH2 Q12809 5/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARG P37231 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL20346142 0.96 CNR2 (0.34) CNR2CNR1KCNH2PTGESALOX5
SCHEMBL22277733 0.96 CNR2 (0.34) CNR2CNR1KCNH2PTGESALOX5
SCHEMBL20346131 0.93 CNR2 (0.35) CNR2CNR1KCNH2PTGESALOX5
SCHEMBL15355215 0.93 KCNH2 (0.35) KCNH2HRH3CYP2C9CTSLCTSS
SCHEMBL9561926 0.92 KCNH2 (0.34) KCNH2HRH3CYP2C9CTSLCTSS
SCHEMBL9561931 0.92 KCNH2 (0.34) KCNH2HRH3CYP2C9CTSLCTSS
SCHEMBL9405829 0.90 KDM1A (0.35) KCNH2HRH3CYP2C9SMN1; SMN2CTSL
SCHEMBL3437363 0.90 KDM1A (0.35) KCNH2HRH3CYP2C9SMN1; SMN2CTSL
SCHEMBL22277617 0.90 CNR2 (0.33) CNR2CNR1KCNH2PTGESALOX5
SCHEMBL20346138 0.90 CNR2 (0.33) CNR2CNR1KCNH2PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed