SCHEMBL11298102

SCHEMBL11298102

O=P(O)(O)C1CCCCC1P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.39
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
MMP1 P03956 4/20 0.39
MMP8 P22894 4/20 0.37
MMP3 P08254 3/20 0.37
FDPS P14324 1/20 0.37
MMP9 P14780 3/20 0.33
ENO1 P06733 1/20 0.33
MMP13 P45452 1/20 0.32
METAP1 P53582 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL11299936 0.93 MMP2 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL2701491 0.81 MMP2 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL28379154 0.81 CA1 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL14328077 0.77 ACE (0.41) MMP2CA12CA1CA2CA9
SCHEMBL14746631 0.75 MMP2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL11300576 0.75 DGAT1 (0.31)
SCHEMBL10396838 0.74
SCHEMBL3481359 0.73
SCHEMBL18261819 0.71 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL28446283 0.71 MMP2 (0.41) MMP2CA12CA1CA2CA9

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-4254073-A FROM DIPHOSPHONATES SCM CORPORATION (US) 1981-03-03 US claimed
US-4254073-A FROM DIPHOSPHONATES SCM CORPORATION (US) 1981-03-03 US disclosed