SCHEMBL8767044

SCHEMBL8767044

Fc1cc(C2CCC(CCCCCCC3CCCC3)CC2)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
PDE2A O00408 4/20 0.34
SIGMAR1 Q99720 1/20 0.34
S1PR1 P21453 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
OPRL1 P41146 1/20 0.33
CHRM2 P08172 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL8767039 1.00 EPHX2 (0.35) EPHX2ESR2TDP1HPGDPDE2A
SCHEMBL8767778 0.99 EPHX2 (0.36) EPHX2ESR2TDP1HPGDPDE2A
SCHEMBL8767773 0.99 EPHX2 (0.36) EPHX2ESR2TDP1HPGDPDE2A
SCHEMBL8767623 0.93 PDE2A (0.38) EPHX2ESR2HPGDPDE2AS1PR1
SCHEMBL8767621 0.93 PDE2A (0.38) EPHX2ESR2HPGDPDE2AS1PR1
SCHEMBL8767847 0.90 PDE2A (0.36) EPHX2ESR2HPGDPDE2AS1PR1
SCHEMBL8430252 0.88 EPHX2 (0.36) EPHX2ESR2PDE2ACHRM2
SCHEMBL9013569 0.85 EPHX2 (0.35) EPHX2ESR2PDE2AHCRTR1HCRTR2
SCHEMBL8771398 0.85 EPHX2 (0.35) EPHX2PDE2A
SCHEMBL9013573 0.85 EPHX2 (0.35) EPHX2ESR2PDE2AHCRTR1HCRTR2

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed