SCHEMBL7397205

SCHEMBL7397205

NC(CCC(=O)NC(CO)(CO)CO)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
HTR6 P50406 3/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
TGFBR1 P36897 1/20 0.33
PTGES O14684 1/20 0.33
GBA1 P04062 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
FABP4 P15090 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX12 P18054 1/20 0.32
BTK Q06187 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PDE4B Q07343 1/20 0.31

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
SCHEMBL7405924 0.90 LMNA (0.33) GAA
SCHEMBL7402171 0.87
SCHEMBL7403250 0.87 MMP2 (0.32)
SCHEMBL7404899 0.86 HSD17B1 (0.36) HTR6HSD17B1HSD17B2
SCHEMBL7407754 0.86 CBLB (0.35)
SCHEMBL7397200 0.84 MAP1LC3B (0.34) CA1CA2HTR6MAP1LC3BMAP1LC3A
SCHEMBL7401189 0.83 HTR6 (0.40) HTR6MAP1LC3BMAP1LC3ATGFBR1ALOX12
SCHEMBL7397192 0.80 GHSR (0.34) HTR6MAP1LC3BMAP1LC3ATGFBR1PTGES
SCHEMBL7443310 0.79 POLB (0.36) HTR6MAP1LC3BMAP1LC3ATGFBR1PTGES
SCHEMBL7441063 0.79 KCNK3 (0.36) HTR6MAP1LC3BMAP1LC3ATGFBR1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO claimed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed