SCHEMBL7780251

SCHEMBL7780251

NC(=O)CCC(N)C(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
LTA4H P09960 8/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC1A3 P43003 1/20 0.40
ELANE P08246 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL1459632 1.00 KMT2A (0.48) KMT2AALOX15BLMPMP22LTA4H
Sulfuric Acid SCHEMBL11047947 0.94 KMT2A (0.43) KMT2AALOX15BLMPMP22LTA4H
SCHEMBL6486886 0.88 CYP1A2 (0.47) ALOX15LTA4HATML3MBTL1CYP1A2
SCHEMBL6486889 0.88 CYP1A2 (0.47) ALOX15LTA4HATML3MBTL1CYP1A2
SCHEMBL29200122 0.87 KMT2A (0.40) KMT2AALOX15BLMPMP22LTA4H
SCHEMBL1810782 0.87 PRSS1 (0.47) KMT2ALTA4HATML3MBTL1PRSS1
Glutamine SCHEMBL29033841 0.84 ALOX15 (0.51) KMT2AALOX15BLMPMP22LTA4H
Ethylene Glycol SCHEMBL27914474 0.84 LTA4H (0.44) LTA4HATML3MBTL1CYP1A2CYP2D6
SCHEMBL7782165 0.83 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL7782168 0.83 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2CYP1A2CYP2D6

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 3 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