SCHEMBL9440248

SCHEMBL9440248

O=C(O)NCCCC[C@H](NOCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.53
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP13 P45452 1/20 0.46
TGM2 P21980 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43

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
Hydrochloric Acid SCHEMBL9440688 0.87 SIRT2 (0.51) FOLH1MMP2MMP9SIRT2SIRT1
SCHEMBL7226853 0.83 MMP2 (0.50) MMP2MMP9ITGB3CPB1CPB2
SCHEMBL7226850 0.83 MMP2 (0.50) MMP2MMP9ITGB3CPB1CPB2
Methane SCHEMBL28261132 0.82 MMP2 (0.49) MMP2MMP9ITGB3CPB1CPB2
SCHEMBL3982664 0.82 NPC1 (0.46) MMP2MMP9ITGB3CPB1CPB2
SCHEMBL6158695 0.82 CA1 (0.59) MMP2SIRT2SIRT1
SCHEMBL6158692 0.82 CA1 (0.59) MMP2SIRT2SIRT1
SCHEMBL8702185 0.80 MME (0.52) FOLH1
SCHEMBL9556097 0.80 LTA4H (0.46) MMP2
SCHEMBL28937048 0.80 LTA4H (0.46) MMP2

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
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed