SCHEMBL7734996

SCHEMBL7734996

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.33
PDE2A O00408 2/20 0.33
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL7734993 1.00 EPHX2 (0.33) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7734984 1.00 EPHX2 (0.33) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7722807 0.97 EPHX2 (0.33) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7722809 0.97 EPHX2 (0.33) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7722800 0.97 EPHX2 (0.33) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7722826 0.97 ALDH1A1 (0.34) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7722821 0.97 ALDH1A1 (0.34) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7734992 0.94 ALDH1A1 (0.34) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7734987 0.94 ALDH1A1 (0.34) EPHX2PDE2ASLC7A5ALDH1A1LMNA
SCHEMBL7729337 0.93 ALDH1A1 (0.38) EPHX2PDE2ASLC7A5ALDH1A1LMNA

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed