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SCHEMBL8771225

SCHEMBL8771225

CCCCC[Si@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.35
▸ EPHX2 P34913 6/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ SLC7A5 Q01650 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ SPHK1 Q9NYA1 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
SCHEMBL8771208 1.00 PDE2A (0.35) PDE2AEPHX2KDM1ASLC7A5HCRTR1
SCHEMBL8771220 1.00 PDE2A (0.35) PDE2AEPHX2KDM1ASLC7A5HCRTR1
SCHEMBL8771211 1.00 PDE2A (0.35) PDE2AEPHX2KDM1ASLC7A5HCRTR1
SCHEMBL8771259 0.92 EPHX2 (0.34) PDE2AEPHX2KDM1AHCRTR1HCRTR2
SCHEMBL8771254 0.92 EPHX2 (0.34) PDE2AEPHX2KDM1AHCRTR1HCRTR2
SCHEMBL8771265 0.92 EPHX2 (0.34) PDE2AEPHX2KDM1AHCRTR1HCRTR2
SCHEMBL8771246 0.92 EPHX2 (0.34) PDE2AEPHX2KDM1AHCRTR1HCRTR2
SCHEMBL8417305 0.91 PDE2A (0.34) PDE2AEPHX2KDM1ASLC7A5
SCHEMBL8417308 0.91 PDE2A (0.34) PDE2AEPHX2KDM1ASLC7A5
SCHEMBL8771393 0.84 EPHX2 (0.35) PDE2AEPHX2KDM1ASPHK1

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-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 — — EP disclosed