SCHEMBL19722086

SCHEMBL19722086

COc1ccc(-c2ccc(C3CCC(CCCF)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ESR2 Q92731 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.37
HTR2C P28335 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7912561 0.91 DRD2 (0.39) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7912570 0.91 DRD2 (0.39) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7912574 0.91 DRD2 (0.39) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11281659 0.87 DRD2 (0.51) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19829106 0.86 ESR2 (0.39) DRD2ESR2CYP2C9
SCHEMBL223652 0.86 DRD2 (0.50) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL222090 0.86 DRD2 (0.50) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11283709 0.84 DRD2 (0.49) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10659015 0.84 DRD2 (0.49) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11287630 0.84 DRD2 (0.49) DRD2DGAT1ALDH1A1SMN1; SMN2MEN1

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