SCHEMBL11734201

SCHEMBL11734201

CSCCC(NCC(O)C(O)C(O)C(O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 3/20 0.41
PDE4A P27815 1/20 0.41
PKM P14618 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11734183 1.00 LMNA (0.43) LMNAKDM4EPDE4APKMRNPEP
SCHEMBL31447814 0.98 LMNA (0.42) LMNAKDM4EPDE4APKMRNPEP
SCHEMBL5988220 0.85 KDM4E (0.39) LMNAKDM4EPDE4APKMRNPEP
SCHEMBL6010243 0.83 LMNA (0.46) LMNAKDM4EPKMRNPEPALDH1A1
SCHEMBL6010246 0.83 LMNA (0.46) LMNAKDM4EPKMRNPEPALDH1A1
SCHEMBL23530921 0.81 PDE4A (0.38) LMNAKDM4EPDE4APKMRNPEP
SCHEMBL29894966 0.81 PDE4A (0.38) LMNAKDM4EPDE4APKMRNPEP
SCHEMBL5179354 0.80 RNPEP (0.48) LMNAKDM4EPKMRNPEPUSP2
SCHEMBL5179360 0.80 RNPEP (0.48) LMNAKDM4EPKMRNPEPUSP2
SCHEMBL11729532 0.80 PDE4A (0.52) LMNAKDM4EPDE4AUSP2SLCO1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032676-A MOISTURIZERS HENKEL & CIE G.M.B.H. (DT) 1977-06-28 US claimed
WO-2023221338-A1 HIGH-STABILITY HEAVY METAL REMOVING COMPOSITION, USE AND DOSAGE FORM THEREOF, AND METHOD FOR PREPARING SAME 广东众尔健生物科技有限公司 2023-11-23 WO disclosed
US-4032676-A MOISTURIZERS HENKEL & CIE G.M.B.H. (DT) 1977-06-28 US disclosed