SCHEMBL7030982

SCHEMBL7030982

C/C=C/[C@H]1CC[C@H](CCC2CCC(c3ccc(COC)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
OPRL1 P41146 5/20 0.33
ESR2 Q92731 2/20 0.33
RORC P51449 1/20 0.31
TLR7 Q9NYK1 3/20 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
SCHEMBL7028362 0.91 KDM5A (0.35) KDM5AKDM4CKDM5BRORCTLR7
SCHEMBL8390301 0.91 KDM5A (0.35) KDM5AKDM4CKDM5BRORCTLR7
SCHEMBL7029315 0.87 KDM5A (0.34) KDM5AKDM4CKDM5BOPRL1ESR2
SCHEMBL7031742 0.87 KDM5A (0.32) KDM5AKDM4CKDM5BOPRL1ESR2
SCHEMBL7031689 0.84 OPRL1 (0.33) OPRL1
SCHEMBL7029268 0.84 CYP2C9 (0.43) KDM5AKDM4CKDM5BOPRL1ESR2
SCHEMBL7032806 0.84 KDM5A (0.39) KDM5AKDM4CKDM5BOPRL1ESR2
SCHEMBL9312054 0.84 ESR2 (0.35) OPRL1ESR2
SCHEMBL9312059 0.84 ESR2 (0.35) OPRL1ESR2
SCHEMBL8517429 0.84 ESR2 (0.35) OPRL1ESR2

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-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed