SCHEMBL14822795

SCHEMBL14822795

O=C(CC1CCCC1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 7/20 0.61
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.47
AGTR1 P30556 2/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3704915 0.72 KMT2A (0.66) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13546239 0.71 MAPT (0.63) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL16938818 0.71 MAPT (0.63) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL171043 0.71 DGAT1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10227621 0.71 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL174525 0.70 ATM (0.44) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL15176788 0.69 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL13546278 0.68 HPGD (0.43) ALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10747787 0.68 MAPT (0.62) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL28964071 0.68 MAPT (0.62) ALDH1A1MAPTKMT2AMEN1KDM4E

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-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed