SCHEMBL8387253

SCHEMBL8387253

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(COCC)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30
PANK3 Q9H999 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
SCHEMBL7033040 1.00 KDM5A (0.34) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL8730352 0.89 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8730360 0.89 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8730367 0.89 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8731256 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL8390577 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL7027203 0.88 KDM5A (0.35) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL7028333 0.87 NAAA (0.34) KDM5AKDM4CKDM5B
SCHEMBL19446496 0.86 PANK3 (0.34) KDM5AKDM4CKDM5BCTSKCTSC
SCHEMBL7026537 0.86 KDM5A (0.33) KDM5AKDM4CKDM5B

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
US-5888423-A Fluorobenzyl ether derivatives ROLIC AG (CH) 1999-03-30 US disclosed