SCHEMBL22277331

SCHEMBL22277331

C=Cc1ccc(-c2ccc(C3CCC(COc4ccc(OC)c(F)c4F)CO3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR2 P25090 1/20 0.35
PDE4B Q07343 10/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CHEK1 O14757 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
SCHEMBL12759342 0.97 SGPL1 (0.36) SGPL1S1PR1FPR2PDE4BPDE4A
SCHEMBL12759351 0.91 KDM1A (0.33) SGPL1S1PR1
SCHEMBL12759363 0.87 GABRA1 (0.31)
SCHEMBL12759373 0.86 PDE4A (0.30) PDE4BPDE4APDE4CPDE4D
SCHEMBL12759344 0.85 PDE4B (0.36) SGPL1S1PR1FPR2PDE4BPDE4A
SCHEMBL12759345 0.83 PDE4B (0.35) SGPL1S1PR1FPR2PDE4BPDE4A
SCHEMBL12759335 0.82 PDE4B (0.36) SGPL1S1PR1FPR2PDE4BPDE4A
SCHEMBL12759334 0.80 PDE4B (0.37) SGPL1S1PR1FPR2PDE4BPDE4A
SCHEMBL12759355 0.79 KDM1A (0.33) SGPL1S1PR1PDE4B
SCHEMBL12759339 0.78 PDE4B (0.36) SGPL1S1PR1FPR2PDE4BPDE4A

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed