SCHEMBL9112440

SCHEMBL9112440

COC(=O)CCCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
PPARA Q07869 1/20 0.48
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
P2RY12 Q9H244 2/20 0.46
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46

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
SCHEMBL4275826 0.87 HDAC1 (0.56) L3MBTL1MAPTGAAHTTTSHR
SCHEMBL5187570 0.86 MAPT (0.72) L3MBTL1MAPTGAAPPARAHTT
SCHEMBL4211416 0.86 TSHR (0.64) L3MBTL1HTTTP53TSHRHSD17B10
SCHEMBL2603390 0.86 L3MBTL1 (0.74) L3MBTL1MAPTGAAPPARAHTT
SCHEMBL28706802 0.84 GAA (0.75) L3MBTL1MAPTGAAHTTTP53
SCHEMBL28693964 0.84 GAA (0.75) L3MBTL1MAPTGAAHTTTP53
SCHEMBL4209773 0.84 TSHR (0.67) GAAHTTTP53TSHRHSD17B10
SCHEMBL28706034 0.84 GAA (0.75) L3MBTL1MAPTGAAHTTTP53
SCHEMBL9329263 0.84 TSHR (0.67) GAAHTTTP53TSHRHSD17B10
SCHEMBL26089107 0.84 TSHR (0.67) GAAHTTTP53TSHRHSD17B10

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-1995016686-A1 HETEROARYL MUPIROCIN DERIVATIVES USEFUL AS ANTIBACTERIAL, ANTIFUNGAL OR HERBICIDAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed