SCHEMBL25564963

SCHEMBL25564963

CN(C)CCCC[C@H](NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ FOLH1 Q04609 6/20 0.36
▸ CTSK P43235 1/20 0.35
▸ NOD1 Q9Y239 3/20 0.35
▸ KDM4A O75164 7/20 0.34
▸ KDM4C Q9H3R0 7/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL8179038 0.81 NOD1 (0.54) FOLH1NOD1
SCHEMBL8172600 0.81 NOD1 (0.54) FOLH1NOD1
SCHEMBL8178933 0.80 NOD1 (0.49) CA12CA1CA2CA9FOLH1
SCHEMBL1236443 0.80 NOD1 (0.49) CA12CA1CA2CA9FOLH1
SCHEMBL22717112 0.80 SMN1; SMN2 (0.48) FOLH1NOD1KDM4AKDM4CKDM5A
SCHEMBL22717113 0.80 SMN1; SMN2 (0.48) FOLH1NOD1KDM4AKDM4CKDM5A
SCHEMBL287360 0.79 FOLH1 (0.57) CA12CA1CA2CA9FOLH1
SCHEMBL287361 0.79 FOLH1 (0.57) CA12CA1CA2CA9FOLH1
SCHEMBL30915497 0.79 FOLH1 (0.57) CA12CA1CA2CA9FOLH1
SCHEMBL13835092 0.78 SMN1; SMN2 (0.60) CA12CA2CA9FOLH1

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
WO-2023093834-A1 PYRROLIDINE ANTIVIRAL COMPOUND 先声再明医药有限公司 2023-06-01 — — WO disclosed
Send feedback