SCHEMBL20117898

SCHEMBL20117898

Cc1cc2c(c(F)c1F)-c1c-2ccc(OCC2CCCC2)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
BRD4 O60885 2/20 0.38
ELANE P08246 1/20 0.37
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
PTGER1 P34995 5/20 0.36
FFAR1 O14842 2/20 0.36
PPARD Q03181 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
C5AR1 P21730 1/20 0.35

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
SCHEMBL20111361 0.91 HPGD (0.36) HPGDBRD4
SCHEMBL20102519 0.89 HTR2A (0.34) HPGDBRD4PTGER1NOS3NOS1
SCHEMBL20102517 0.86 GRM2 (0.32) HPGDBRD4PTGER1
SCHEMBL20102520 0.86 PDE10A (0.32) HPGDBRD4NOS3NOS1
SCHEMBL20102467 0.85 PTGDR2 (0.37) HPGDSLC6A4HTR6FFAR1C5AR1
SCHEMBL20111262 0.85 PDE10A (0.32) HPGDBRD4PTGER1
SCHEMBL20117670 0.84 GRM2 (0.33) BRD4SLC6A4HTR6
SCHEMBL20102587 0.84 PDE10A (0.32) HPGDBRD4
SCHEMBL20102586 0.83 GRM2 (0.31) BRD4
SCHEMBL20111360 0.81 FFAR1 (0.40) SLC6A4HTR6FFAR1

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-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed