SCHEMBL7215852

SCHEMBL7215852

C=C(CC(C)N1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.50
ALDH1A1 P00352 6/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TNF P01375 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL8853249 0.83 TDP1 (0.62) TDP1LMNAALDH1A1GAATP53
SCHEMBL28569602 0.82 TDP1 (0.59) TDP1LMNAALDH1A1GAATP53
SCHEMBL9076943 0.79 TDP1 (0.56) TDP1LMNAALDH1A1GAATP53
SCHEMBL11167658 0.77 TDP1 (0.50) TDP1LMNAALDH1A1GAATP53
SCHEMBL28908606 0.76 TNF (0.60) TDP1LMNAALDH1A1POLBMAPK1
SCHEMBL1757227 0.76 TDP1 (0.53) TDP1LMNAALDH1A1GAAPOLB
SCHEMBL9502955 0.76 LMNA (0.63) TDP1LMNAALDH1A1GAATP53
SCHEMBL4414650 0.75 TDP1 (0.51) TDP1LMNAALDH1A1TP53POLB
SCHEMBL5194206 0.74 TDP1 (0.62) TDP1LMNAALDH1A1GAATP53
SCHEMBL4106122 0.74 TDP1 (0.62) TDP1LMNAALDH1A1GAATP53

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-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed