SCHEMBL13544741

SCHEMBL13544741

COc1ccc(CNC(=O)c2ccc(Cl)c(C(C)=O)c2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.61
TP53 P04637 5/20 0.60
LMNA P02545 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MAPT P10636 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
NAMPT P43490 1/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ROCK2 O75116 1/20 0.49
EPHX2 P34913 2/20 0.49

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
SCHEMBL13544744 0.91 TAS1R3 (0.56) PPARGTP53LMNARXFP1MAPT
SCHEMBL13544514 0.91 PPARG (0.61) PPARGTP53LMNARXFP1MAPT
SCHEMBL13544740 0.87 MAPT (0.61) PPARGTP53LMNARXFP1MAPT
SCHEMBL3524782 0.86 TAS1R3 (0.59) PPARGTP53LMNARXFP1MAPT
SCHEMBL3527747 0.86 TAS1R3 (0.56) PPARGTP53LMNARXFP1MAPT
SCHEMBL23985899 0.81 TAS1R3 (0.71) TP53LMNARXFP1MAPTTAS1R3
SCHEMBL30305533 0.81 TAS1R3 (0.71) TP53LMNARXFP1MAPTTAS1R3
SCHEMBL3530201 0.81 TAS1R3 (0.57) PPARGTP53LMNARXFP1MAPT
SCHEMBL13544512 0.81 MAPT (0.61) PPARGTP53LMNARXFP1MAPT
SCHEMBL8759043 0.78 HPGD (0.70) TP53MAPTTAS1R3TAS1R1NAMPT

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed