SCHEMBL11699720

SCHEMBL11699720

O=C(NCC(P(=O)(O)O)P(=O)(O)O)NCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.39
MMP1 P03956 3/20 0.38
MMP8 P22894 3/20 0.38
ANPEP P15144 1/20 0.34
MMP2 P08253 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ENO1 P06733 1/20 0.33
EPHX1 P07099 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8811075 0.73 FDPS (0.36) FDPSMMP1MMP8ANPEP
SCHEMBL7759492 0.73 FDPS (0.39) FDPSMMP1MMP8ANPEPMMP2
SCHEMBL8764339 0.72 FDPS (0.44) FDPSANPEPMMP2ENO1KDM4E
SCHEMBL3629699 0.70 FDPS (0.41) FDPSMMP8ANPEPMMP2CA12
SCHEMBL11056866 0.70 ANPEP (0.58) FDPSANPEPTDP1
SCHEMBL8991750 0.70 FDPS (0.41) FDPSMMP1MMP8ANPEPMMP2
SCHEMBL7521673 0.69 ENO1 (0.38) MMP1MMP8MMP2CA12CA1
SCHEMBL4101490 0.69 FOLH1 (0.39) FDPSCA2MEN1LMNAHPGD
SCHEMBL4102805 0.68 FDPS (0.39) FDPSANPEPMMP2KDM4ETHRB
SCHEMBL8675602 0.67 FDPS (0.42) FDPSMMP1MMP8ANPEPMMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036913-A FIREPROOFING, HERBICIDES MONSANTO COMPANY (US) 1977-07-19 US disclosed
US-4003965-A FIRE RETARDANTS, PREEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1977-01-18 US disclosed