SCHEMBL8737429

SCHEMBL8737429

CCC[C@H]1CC[C@H](CCCCC2CCC(c3cc(F)c(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.35
PDE2A O00408 5/20 0.35
CTSK P43235 1/20 0.35
NAAA Q02083 1/20 0.35
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL8737428 1.00 EPHX2 (0.35) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL8736711 1.00 EPHX2 (0.35) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL17175205 0.94 EPHX2 (0.35) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL17175204 0.93 EPHX2 (0.34) EPHX2PDE2ACTSKNAAAMAPT
SCHEMBL17175203 0.92 EPHX2 (0.34) EPHX2PDE2ACTSKNAAAGRM2
SCHEMBL15965521 0.90 CYP2C9 (0.40) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL16257996 0.89 PDE2A (0.34) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL16258083 0.88 PDE2A (0.35) EPHX2PDE2ACTSKNAAACYP2C9
SCHEMBL6452365 0.88 CTSK (0.35) EPHX2PDE2ACTSKNAAAGRM2
SCHEMBL6452361 0.88 CTSK (0.35) EPHX2PDE2ACTSKNAAAGRM2

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-0846670-A1 CYCLOHEXANE DERIVATIVES AND LIQUID-CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1998-06-10 EP disclosed