SCHEMBL31416636

SCHEMBL31416636

COc1ccc(B(O)O)cc1-c1ccc2nonc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.58
PDE4B Q07343 1/20 0.41
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TDO2 P48775 1/20 0.37
PTPN11 Q06124 5/20 0.36
DHFR P00374 1/20 0.36
PIK3CD O00329 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL7675643 0.79 RAB9A (0.49) ENPP2PDE4BTLR8TLR7TDO2
SCHEMBL7614651 0.77 SMN1; SMN2 (0.43) PDE4BTLR8TLR7TDO2PIK3CD
SCHEMBL7500597 0.76 ENPP2 (0.72) ENPP2TDO2PIK3CDTSHR
SCHEMBL439914 0.75 ENPP2 (1.00) ENPP2NPC1POLBMAPTRAB9A
SCHEMBL24252379 0.75 DHFR (0.37) ENPP2DHFRNPC1RAB9APIK3R1
SCHEMBL30451279 0.75 DHFR (0.37) ENPP2DHFRNPC1RAB9APIK3R1
SCHEMBL7549540 0.75 RARA (0.56) PDE4BPTPN11
SCHEMBL7613276 0.74 CHEK2 (0.51) PDE4BPTPN11
SCHEMBL3806314 0.74 CNR2 (0.47) PDE4BPOLBALOX5GABRA1CNR2
SCHEMBL31416449 0.74 ERN1 (0.46) ENPP2TDO2

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
CN-122055371-A Faster automated iterative C-C bond formation 伊利诺伊大学评议会 2026-05-15 CN disclosed
WO-2025042679-A1 FASTER AUTOMATED ITERATIVE C-C BOND FORMATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-27 WO disclosed