SCHEMBL19721872

SCHEMBL19721872

CCCCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.43
CYP17A1 P05093 1/20 0.41
NAAA Q02083 5/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM1A O60341 2/20 0.39
TDP2 O95551 1/20 0.38
CYP2C9 P11712 1/20 0.37
FAAH O00519 1/20 0.36
FPR2 P25090 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9412163 0.91 CYP2C9 (0.45) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL9412166 0.91 CYP2C9 (0.45) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL10979654 0.90 KDM1A (0.46) MGLLKDM1ACYP2C9ALDH1A1LMNA
SCHEMBL10979652 0.90 KDM1A (0.46) MGLLKDM1ACYP2C9ALDH1A1LMNA
SCHEMBL6452262 0.90 MGLL (0.40) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL6452256 0.90 MGLL (0.40) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL6459071 0.89 MGLL (0.41) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL6459068 0.89 MGLL (0.41) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL6453307 0.89 MGLL (0.41) MGLLCYP17A1NAAAGRIN1GRIN2B
SCHEMBL6453305 0.89 MGLL (0.41) MGLLCYP17A1NAAAGRIN1GRIN2B

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
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 EP disclosed