SCHEMBL20117610

SCHEMBL20117610

CCOc1ccc2c(c1C(F)F)-c1c-2cc(C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.34
VEGFA P15692 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM1A O60341 2/20 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
SCHEMBL20117597 0.89 ALDH1A1 (0.34) FPR2ALDH1A1KDM1A
SCHEMBL20102434 0.86 FPR2 (0.32) FPR2
SCHEMBL20102453 0.84 KDM1A (0.36) FPR2ALDH1A1PTGS1PTGS2KDM1A
SCHEMBL20102452 0.82 KDM1A (0.34) FPR2ALDH1A1KDM1A
SCHEMBL20102451 0.79 ALOX5AP (0.36) KDM1A
SCHEMBL20102450 0.79 PTGDR2 (0.37) ALDH1A1KDM1A
SCHEMBL20102455 0.78 PTGDR2 (0.39) ALDH1A1KDM1A
SCHEMBL20111583 0.78 PTGDR2 (0.39) ALDH1A1KDM1A
SCHEMBL20111510 0.78 ALOX5AP (0.32)
SCHEMBL20111246 0.77 FPR2 (0.32) FPR2KDM1A

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