SCHEMBL28759869

SCHEMBL28759869

O=C(O)CCCCCNC(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.62
SIRT5 Q9NXA8 2/20 0.55
PADI4 Q9UM07 1/20 0.54
PADI2 Q9Y2J8 1/20 0.54
BMP1 P13497 1/20 0.53
FOLH1 Q04609 2/20 0.52
NMBR P28336 2/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HTT P42858 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL5652289 1.00 PTGER4 (0.62) PTGER4SIRT5PADI4PADI2BMP1
SCHEMBL5654676 0.87 BMP1 (0.62) PTGER4SIRT5BMP1FOLH1NMBR
SCHEMBL5652214 0.86 BMP1 (0.64) PTGER4SIRT5BMP1FOLH1NMBR
SCHEMBL5653457 0.84 PTGER4 (0.73) PTGER4SIRT5FOLH1HTTSIRT2
SCHEMBL5656713 0.81 PTGER4 (0.77) PTGER4FOLH1HDAC1HDAC2HDAC3
SCHEMBL5653366 0.81 PTGER4 (0.69) PTGER4SIRT5FOLH1HTTSIRT2
SCHEMBL23574915 0.81 PTGER4 (0.70) PTGER4SIRT5FOLH1HTTSIRT2
SCHEMBL22750161 0.81 PTGER4 (0.70) PTGER4SIRT5FOLH1HTTSIRT2
SCHEMBL5652870 0.80 BMP1 (0.60) PTGER4SIRT5BMP1NMBRHDAC1
SCHEMBL5656785 0.79 PTGER4 (0.64) PTGER4SIRT5PADI4PADI2FOLH1

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
CN-1898227-A As prostaglandin E2Ornithine derivatives as agonists or antagonists ASTELLAS PHARMA INC (JP) 2007-01-17 CN disclosed