SCHEMBL19722181

SCHEMBL19722181

CCCCCC1CCC(C2CCC(/C=C/C3CCC(OC(=O)C(C)CO)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL22754580 0.93 NAAA (0.40) NAAATP53MAPTPKMMEN1
SCHEMBL19755083 0.79 NAAA (0.36) NAAATP53PKMMEN1HTT
SCHEMBL19722179 0.79 NAAA (0.36) NAAATP53PKMMEN1HTT
SCHEMBL19722610 0.78 SPHK1 (0.39) NAAAMAPTCYP2C9
SCHEMBL19722444 0.78 CYP2C9 (0.38) TP53MAPTMEN1KMT2ACYP2C9
SCHEMBL12939444 0.76 NAAA (0.47) NAAATP53MAPTPKMMEN1
SCHEMBL19722379 0.76 CYP1A2 (0.35) NAAATP53PKMMEN1HTT
SCHEMBL21322076 0.76 CYP1A2 (0.35) NAAATP53PKMMEN1HTT
SCHEMBL6522533 0.75 PKM (0.36) NAAATP53MAPTPKMMEN1
SCHEMBL6522523 0.75 PKM (0.36) NAAATP53MAPTPKMMEN1

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