SCHEMBL7987260

SCHEMBL7987260

Nc1n[nH]c(SCC(=O)CC(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ATM Q13315 1/20 0.32
GLA P06280 1/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2A1 P68400 2/20 0.32

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
SCHEMBL28828607 0.77 LMNA (0.39) KDM4EALPLALPIALPGMPI
SCHEMBL11584813 0.68 KMT2A (0.40) ALPLKMT2APOLBLMNAALDH1A1
SCHEMBL7814368 0.67
SCHEMBL11584118 0.67
SCHEMBL10966224 0.66 ALDH1A1 (0.50) LMNAALDH1A1MAPTCYP1A2
SCHEMBL11584539 0.66 SMN1; SMN2 (0.47) KDM4ELMNAALDH1A1MAPT
SCHEMBL7814460 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21634159 0.63 SMN1; SMN2 (0.57) LMNAALDH1A1MAPT
SCHEMBL15332609 0.62 ALDH1A1 (0.50) KDM4EKMT2APOLBLMNAALDH1A1
SCHEMBL7971675 0.62 ALDH1A1 (0.57) POLBLMNAALDH1A1MAPTATM

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-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed