SCHEMBL9013569

SCHEMBL9013569

C=CCC1CCC(CCCCC2CCC(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.35
PDE2A O00408 6/20 0.31
CHRM2 P08172 1/20 0.31
SLC7A5 Q01650 1/20 0.31
CTSK P43235 1/20 0.30
NAAA Q02083 1/20 0.30
ESR2 Q92731 1/20 0.30
P2RX7 Q99572 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL9013573 1.00 EPHX2 (0.35) EPHX2PDE2ACHRM2SLC7A5CTSK
SCHEMBL8767778 0.87 EPHX2 (0.36) EPHX2PDE2ACHRM2SLC7A5ESR2
SCHEMBL8767773 0.87 EPHX2 (0.36) EPHX2PDE2ACHRM2SLC7A5ESR2
SCHEMBL2853663 0.86 EPHX2 (0.35) EPHX2PDE2ACTSKNAAAP2RX7
SCHEMBL2857780 0.86 EPHX2 (0.35) EPHX2PDE2ACTSKNAAAP2RX7
SCHEMBL8767039 0.85 EPHX2 (0.35) EPHX2PDE2ACHRM2ESR2P2RX7
SCHEMBL8767044 0.85 EPHX2 (0.35) EPHX2PDE2ACHRM2ESR2P2RX7
SCHEMBL9014120 0.84
SCHEMBL9014123 0.84
SCHEMBL8430252 0.84 EPHX2 (0.36) EPHX2PDE2ACHRM2SLC7A5CTSK

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-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP claimed