SCHEMBL8746174

SCHEMBL8746174

C=CCCOS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
CA2 P00918 5/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 4/20 0.41
FAAH O00519 3/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
PRSS3 P35030 1/20 0.41
CA5A P35218 1/20 0.41
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 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
SCHEMBL9309031 0.83 KMT2A (0.61) KMT2ACA2CA9CA1FAAH
SCHEMBL169847 0.82 KMT2A (0.52) KMT2ACA2CA9CA1FAAH
SCHEMBL8222593 0.81 KMT2A (0.50) KMT2ACA2CA9CA1FAAH
SCHEMBL7619550 0.80 KMT2A (0.57) KMT2ACA2CA9CA1FAAH
SCHEMBL6912270 0.78 CA1 (0.63) KMT2ACA2CA9CA1FAAH
SCHEMBL21350477 0.77 CYP3A4 (0.44) CA2CA9TSHR
SCHEMBL8746194 0.77 KMT2A (0.53) KMT2ACA2CA9CA1FAAH
SCHEMBL71841 0.77 KMT2A (0.53) KMT2ACA2CA9CA1FAAH
SCHEMBL2383968 0.77 KMT2A (0.53) KMT2ACA2CA9CA1FAAH
SCHEMBL2762566 0.77 KMT2A (0.53) KMT2ACA2CA9CA1FAAH

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-0602254-B1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KK (JP) 1997-01-02 EP disclosed
US-5476913-A Bactericides OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-19 US disclosed
EP-0602254-A1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-22 EP disclosed