SCHEMBL7954546

SCHEMBL7954546

Cc1c2c(n(Cc3ccc(Cl)c(Cl)c3)c1C(=O)NOCCCC(=O)O)CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 3/20 0.34
ABCB11 O95342 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PLA2G2A P14555 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL7050230 0.97 HDAC1 (0.45) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7050842 0.90 HDAC1 (0.48) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7045478 0.86 HDAC1 (0.47) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7048131 0.86 HDAC1 (0.52) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7048313 0.81 HDAC1 (0.52) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7046362 0.78 HDAC1 (0.51) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7954542 0.77 CCR2 (0.39) LMNAMAPTRAB9AGAAHTT
SCHEMBL7046229 0.76 HDAC1 (0.40) HDAC1HDAC6PTGS1PTGS2LMNA
SCHEMBL7050228 0.75 CCR2 (0.39) LMNAMAPTRAB9AGAAHTT
SCHEMBL7050364 0.75 HDAC1 (0.42) HDAC1HDAC6PTGS1PTGS2LMNA

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
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed