SCHEMBL5488613

SCHEMBL5488613

O=C(O)c1cc(N2CCCCC2O)cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
NAPEPLD Q6IQ20 4/20 0.42
PKM P14618 1/20 0.41
ATM Q13315 5/20 0.41
CFTR P13569 5/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
PIK3CA P42336 2/20 0.39
GBA1 P04062 1/20 0.39
GLA P06280 1/20 0.39
ATR Q13535 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
SCHEMBL3114523 0.81 KMO (0.52) KMOPKMCFTRPIK3CA
SCHEMBL425720 0.81 KMO (0.57) KMOPKMCFTRPIK3CA
SCHEMBL3112249 0.81 KMO (0.49) KMOPKMCFTRPIK3CAGBA1
SCHEMBL3110123 0.72 PIK3CA (0.49) KMOPKMCFTRPIK3CAGBA1
SCHEMBL16950261 0.72 KMO (0.55) KMOPKMCFTRPIK3CA
SCHEMBL242170 0.72 KMO (0.56) KMOPKMPIK3CA
SCHEMBL23299975 0.71 CYP1A2 (0.44) ATMPIK3C3PIK3CA
SCHEMBL3114998 0.71 KMO (0.56) KMONAPEPLDPKMPIK3CAGBA1
SCHEMBL5454003 0.71 KMO (0.49) KMONAPEPLDPKMPIK3CAGBA1
SCHEMBL3118342 0.71 KMO (0.52) KMONAPEPLDPKMPIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed