SCHEMBL7782885

SCHEMBL7782885

NC(CC(=O)O)C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LTA4H P09960 3/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC1A3 P43003 1/20 0.42
ALOX15 P16050 2/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
ELANE P08246 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC15A1 P46059 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC1A5 Q15758 1/20 0.38
CPA1 P15085 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
SCHEMBL7782886 1.00 ATM (0.45) ATML3MBTL1LTA4HKMT2ASMN1; SMN2
SCHEMBL7782168 0.87 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2SLC1A3ELANE
SCHEMBL7782165 0.87 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2SLC1A3ELANE
SCHEMBL7709512 0.87 ATM (0.44) ATML3MBTL1LTA4HSLC1A3ALOX15
SCHEMBL28333235 0.86 LTA4H (0.41) ATML3MBTL1LTA4HKMT2ASMN1; SMN2
SCHEMBL1226631 0.86 SLC7A5 (0.43) LTA4HELANESLC7A5TDP1
SCHEMBL24530374 0.83 ATM (0.46) ATML3MBTL1LTA4HSLC1A3ALOX15
SCHEMBL2564139 0.83 ATM (0.46) ATML3MBTL1LTA4HSMN1; SMN2SLC1A3
SCHEMBL16086931 0.83 ATM (0.46) ATML3MBTL1LTA4HSMN1; SMN2SLC1A3
SCHEMBL27639690 0.83 ATM (0.46) ATML3MBTL1LTA4HSLC1A3ALOX15

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-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
CN-1240352-A Salts of acetaminophen MCNELL PPC INC (US) 2000-01-05 CN disclosed