SCHEMBL22754580

SCHEMBL22754580

CCCCCC1CCC(C2CCC(OC(=O)C(C)CO)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CCR2 P41597 1/20 0.32
REN P00797 1/20 0.31

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
SCHEMBL19722181 0.93 NAAA (0.36) NAAATP53MAPTPKMMEN1
SCHEMBL19722610 0.84 SPHK1 (0.39) NAAAMAPTCYP2C9
SCHEMBL12939444 0.81 NAAA (0.47) NAAATP53MAPTPKMMEN1
SCHEMBL10951940 0.80 NAAA (0.43) NAAATP53MAPTPKMMEN1
SCHEMBL10705920 0.80 NAAA (0.45) NAAATP53MAPTPKMMEN1
SCHEMBL9152080 0.80 NAAA (0.45) NAAATP53MAPTPKMMEN1
SCHEMBL10381624 0.80 NAAA (0.45) NAAATP53MAPTPKMMEN1
SCHEMBL10954241 0.79 NAAA (0.42) NAAATP53MAPTPKMMEN1
SCHEMBL11044853 0.79 NAAA (0.44) NAAATP53MAPTPKMMEN1
SCHEMBL11044855 0.79 NAAA (0.44) 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-3392324-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-12-09 EP disclosed