SCHEMBL31589277

SCHEMBL31589277

CC(C)[C@@H](C(=O)O)N(C)C(=O)CCCCCBr

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.34
▸ KDM4A O75164 12/20 0.34
▸ PHF8 Q9UPP1 2/20 0.34
▸ KDM2A Q9Y2K7 2/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ KDM7A Q6ZMT4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G5 P39877 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
SCHEMBL31589129 0.98 CHRNB2 (0.33) KDM4CKDM4APHF8KDM2AKDM5A
SCHEMBL28892954 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL28893067 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL1654403 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL16499600 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL28892975 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL28893146 0.85 PLA2G2A (0.44) KDM4CPHF8KDM5APLA2G2APLA2G5
SCHEMBL31589386 0.84 ALDH1A1 (0.32) CHRNB2CHRNB4CHRNA4
SCHEMBL31589523 0.83 KDM4C (0.36) KDM4CKDM4APHF8KDM2AKDM5A
SCHEMBL22424763 0.83 ALDH1A1 (0.44) KDM4CKDM5APLA2G2APLA2G5

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
CN-120040435-A Mangiferin and derivatives thereof, preparation method and medical application thereof 安徽中医药大学 2025-05-27 — — CN disclosed
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