SCHEMBL7465776

SCHEMBL7465776

Cc1ccc(S(=O)(=O)OCCC(CNC(=O)CNC(=O)OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.53
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
P2RX7 Q99572 4/20 0.39
NPBWR1 P48145 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7466052 0.95 MCHR1 (0.56) MCHR1LMNAMAPK1ALDH1A1MAPT
SCHEMBL31122455 0.81 P2RX7 (0.45) LMNAMAPTCA1CA2P2RX7
SCHEMBL7462473 0.79 MCHR1 (0.62) MCHR1LMNAMAPK1ALDH1A1NPSR1
SCHEMBL6924285 0.79 LMNA (0.59) LMNAMAPTCA1CA2P2RX7
SCHEMBL7465787 0.78 LMNA (0.41) LMNAMAPTCA1CA2P2RX7
SCHEMBL7465108 0.78 MCHR1 (0.61) MCHR1LMNAMAPK1ALDH1A1NPSR1
SCHEMBL7467488 0.77 MCHR1 (0.65) MCHR1LMNAMAPK1ALDH1A1NPSR1
SCHEMBL6245784 0.77 HTT (0.54) LMNAALDH1A1MAPTCA1CA2
SCHEMBL7464939 0.76 MCHR1 (0.64) MCHR1LMNAMAPK1ALDH1A1MAPT
SCHEMBL8312617 0.76 CYP24A1 (0.37) ALDH1A1CA1CA2SMN1; SMN2L3MBTL1

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
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed