SCHEMBL8835601

SCHEMBL8835601

O=NNC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.58
NPSR1 Q6W5P4 1/20 0.53
ACE P12821 3/20 0.53
FPR2 P25090 1/20 0.52
CYP1A2 P05177 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
MMP2 P08253 4/20 0.50
MMP9 P14780 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50
ADAMTS4 O75173 1/20 0.50
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49

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
SCHEMBL8835606 1.00 MME (0.58) MMENPSR1ACEFPR2CYP1A2
SCHEMBL608817 0.86 FOLH1 (0.54) MMEACENAALAD2L3MBTL1FOLH1
SCHEMBL608818 0.86 FOLH1 (0.54) MMEACENAALAD2L3MBTL1FOLH1
SCHEMBL9068541 0.84 MME (0.70) MMENPSR1ACECYP1A2NAALAD2
SCHEMBL7379335 0.84 MME (0.70) MMENPSR1ACECYP1A2NAALAD2
SCHEMBL6079626 0.84 MME (0.65) MMEACECPA1ACE2
SCHEMBL6079620 0.84 MME (0.65) MMEACECPA1ACE2
SCHEMBL8422124 0.81 MME (0.50) MMENPSR1ACECYP1A2NAALAD2
SCHEMBL27925841 0.81 MME (0.50) MMENPSR1FPR2CYP1A2NAALAD2
SCHEMBL157547 0.80 MME (0.61) MMENPSR1ACECYP1A2NAALAD2

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
WO-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO claimed
WO-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO disclosed
US-5686310-A Method for determination of the amount of either phosphotyrosine or phosphoserine in a protein UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1997-11-11 US disclosed