SCHEMBL7716180

SCHEMBL7716180

Cc1cc2ccc(F)cc2c(Nc2ccc(C(C)C(Nc3c(OC(C)C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
CSGALNACT1 Q8TDX6 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
P2RX3 P56373 3/20 0.31
MEN1 O00255 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL7716173 0.90 MAPT (0.37) GAAMAPTTP53MEN1NPY1R
SCHEMBL7718437 0.82 ADRA2A (0.33) DGAT1CSGALNACT1GAAMAPTMAPKAPK2
SCHEMBL7716175 0.80 P2RX3 (0.36) GAAMAPTTP53P2RX3MEN1
SCHEMBL7716184 0.78 MAPT (0.35) MAPTTP53P2RX3MEN1KMT2A
SCHEMBL7716187 0.78 MAPT (0.35) MAPTTP53P2RX3MEN1KMT2A
SCHEMBL7716201 0.75 ITGB1 (0.43)
SCHEMBL7716196 0.75 ITGB1 (0.43)
SCHEMBL7710690 0.74 ATM (0.39) MAPTTP53
SCHEMBL7710729 0.74 SLC2A1 (0.36) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7716457 0.73 PAK4 (0.31)

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed