SCHEMBL8734616

SCHEMBL8734616

CCCCCC1CCC([C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CCR2 P41597 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR2 Q92731 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
SCHEMBL3437353 1.00 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL7756549 1.00 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL7756537 1.00 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9764109 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9764498 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9763961 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9763852 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9763955 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9764345 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL9763861 0.99 MAPT (0.38) MEN1KMT2AMAPTGAACYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed