SCHEMBL9344149

SCHEMBL9344149

CCCC(CCOS(=O)(=O)c1ccc(C)cc1)O[C@H]1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
ENPP2 Q13822 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9344155 1.00 SLC12A2 (0.35) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL9348801 0.94 PLA2G2C (0.35) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL9348812 0.94 PLA2G2C (0.35) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL9345687 0.94 CYP24A1 (0.35) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL9345709 0.94 CYP24A1 (0.35) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL26837241 0.90 SLC12A2 (0.36) SLC12A2SLC12A5NPC1CA12CA9
SCHEMBL9626662 0.85 SLC12A2 (0.37) SLC12A2SLC12A5CA12CA9CA1
SCHEMBL27031979 0.85 SLC12A2 (0.37) SLC12A2SLC12A5CA12CA9CA1
SCHEMBL27130489 0.85 SLC12A2 (0.37) SLC12A2SLC12A5CA12CA9CA1
SCHEMBL27032127 0.85 SLC12A2 (0.37) SLC12A2SLC12A5CA12CA9CA1

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
US-5275756-A Pyrimidine ether compounds for electrooptical elements TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-04 US disclosed
EP-0469893-A1 Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof Takasago International Corporation (JP) 1992-02-05 EP disclosed