SCHEMBL19721875

SCHEMBL19721875

CCCCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
KDM1A O60341 3/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 4/20 0.36
TDP2 O95551 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PTGS1 P23219 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
PDE5A O76074 1/20 0.35
PRKCZ Q05513 1/20 0.34
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
CYP17A1 P05093 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
SCHEMBL10979652 0.91 KDM1A (0.46) MGLLKDM1APDE5A
SCHEMBL10979654 0.91 KDM1A (0.46) MGLLKDM1APDE5A
SCHEMBL6459363 0.91 KDM1A (0.38) MGLLKDM1APTGS2TDP2GRIN1
SCHEMBL6459360 0.91 KDM1A (0.38) MGLLKDM1APTGS2TDP2GRIN1
SCHEMBL6450920 0.90 MGLL (0.39) MGLLKDM1ACNR1CNR2PTGS2
SCHEMBL6450915 0.90 MGLL (0.39) MGLLKDM1ACNR1CNR2PTGS2
SCHEMBL6459463 0.90 MGLL (0.39) MGLLKDM1ACNR1CNR2PTGS2
SCHEMBL6459455 0.90 MGLL (0.39) MGLLKDM1ACNR1CNR2PTGS2
SCHEMBL11066880 0.90 KDM1A (0.45) MGLLKDM1APDE5A
SCHEMBL11066887 0.90 KDM1A (0.45) MGLLKDM1APDE5A

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-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 EP disclosed