SCHEMBL7032295

SCHEMBL7032295

C=CCOCc1ccc(C2CCC([C@H]3CC[C@H](CCCCC)CC3)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL8389685 1.00 KDM5A (0.31) KDM5AKDM4CKDM5BSGPL1S1PR1
SCHEMBL8389581 0.97 KDM5A (0.32) KDM5AKDM4CKDM5BSGPL1S1PR1
SCHEMBL7032811 0.97 KDM5A (0.32) KDM5AKDM4CKDM5BSGPL1S1PR1
SCHEMBL7032403 0.89 GBA1 (0.33) CYP2C9GAAMAPT
SCHEMBL7024402 0.89 KDM5A (0.30) KDM5AKDM4CKDM5B
SCHEMBL8385979 0.89 KDM5A (0.30) KDM5AKDM4CKDM5B
SCHEMBL7030366 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BHRH3
SCHEMBL7034698 0.88 KDM5A (0.33) KDM5AKDM4CKDM5BSGPL1S1PR1
SCHEMBL8389614 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BHRH3
SCHEMBL8387103 0.88 KDM5A (0.33) KDM5AKDM4CKDM5BSGPL1S1PR1

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