SCHEMBL15744775

SCHEMBL15744775

Cc1ccc(-c2cc(-c3ccc(OBO)cc3)cc(-c3ccc(B(O)O)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
CA1 P00915 3/20 0.42
ENPP2 Q13822 3/20 0.42
MGLL Q99685 1/20 0.39
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL12045433 0.92 CA2 (0.45) CA2LPLLIPGCA1ENPP2
SCHEMBL14355511 0.87 CA2 (0.50) CA2LPLLIPGCA1ENPP2
SCHEMBL19214431 0.87 CA2 (0.50) CA2LPLLIPGCA1ENPP2
SCHEMBL15744763 0.83 ACHE (0.42) CA2CA1NPC1RAB9AMEN1
SCHEMBL27251936 0.81 CA2 (0.50) CA2LPLLIPGCA1ENPP2
SCHEMBL8974204 0.81 CA2 (0.54) CA2LPLLIPGCA1ENPP2
SCHEMBL13018298 0.78 CA2 (0.41) CA2LPLLIPGCA1ENPP2
SCHEMBL2602434 0.77 ACHE (0.48) CA2CA1MEN1KMT2AACHE
SCHEMBL1853563 0.77 CA2 (0.84) CA2LPLLIPGCA1ENPP2
SCHEMBL19214435 0.76 CA2 (0.61) CA2LPLLIPGCA1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148596-A1 Covalent Organic Frameworks and Methods of Making Same CORNELL UNIVERSITY (US) 2014-05-29 US disclosed