SCHEMBL6793460

SCHEMBL6793460

CCCCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
S1PR3 Q99500 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
FOLH1 Q04609 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC2 Q92769 1/20 0.43
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42

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
SCHEMBL6136678 0.86 S1PR3 (0.48) CA2CA1S1PR3GRNSORT1
SCHEMBL6136584 0.82 CNR2 (0.50) CNR2CA2NOD1ITGB1ITGA4
SCHEMBL9354646 0.82 CNR2 (0.57) CNR2CA2NOD1ITGB1ITGA4
SCHEMBL6349086 0.82 CNR2 (0.73) CNR2NOD1MEN1KMT2AMME
SCHEMBL6136504 0.79 L3MBTL1 (0.49) CA2CA1S1PR3GRNSORT1
SCHEMBL6136500 0.79 L3MBTL1 (0.49) CA2CA1S1PR3GRNSORT1
SCHEMBL8599743 0.79 CA2 (0.46) CA2CA1S1PR3L3MBTL1MEN1
SCHEMBL9647871 0.77 CCKBR (0.73) LMNACCKBR
SCHEMBL9647866 0.77 CCKBR (0.73) LMNACCKBR
SCHEMBL4056322 0.77 CNR2 (0.50) CNR2NOD1

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-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed