SCHEMBL14435532

SCHEMBL14435532

OBc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.57
▸ CA1 P00915 3/20 0.57
▸ ENPP2 Q13822 7/20 0.42
▸ TTR P02766 3/20 0.42
▸ TSHR P16473 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 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
SCHEMBL14436669 0.82 CYP1A2 (0.32) —
SCHEMBL31354846 0.82 CA2 (0.80) CA2CA1ENPP2TTRTSHR
SCHEMBL205203 0.82 CA2 (0.80) CA2CA1ENPP2TTRTSHR
SCHEMBL13667343 0.77 CA2 (0.73) CA2CA1ENPP2TTRTSHR
SCHEMBL14155388 0.77 ENPP2 (0.50) CA2CA1ENPP2TTRTSHR
SCHEMBL28784898 0.74 CA2 (0.76) CA2CA1ENPP2TTRTSHR
SCHEMBL22357543 0.74 ENPP2 (0.52) CA2CA1ENPP2TTRLPL
SCHEMBL2963976 0.73 CA1 (0.55) CA2CA1ENPP2TTR
SCHEMBL23150 0.73 CA1 (1.00) CA2CA1ENPP2
SCHEMBL14291974 0.73 CYP1A2 (0.48) CA2CA1

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
WO-2007098263-A2 SYNTHESIS OF A HIGHLY CRYSTALLINE, COVALENTLY LINKED POROUS NETWORK UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 — — WO disclosed
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