SCHEMBL31416622

SCHEMBL31416622

COc1ncc(B(O)OCC(C)(C)C)c(OC)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.33
PLAU P00749 2/20 0.31
NUDT1 P36639 2/20 0.31
CYP1A2 P05177 2/20 0.30
METAP2 P50579 1/20 0.30
NAMPT P43490 1/20 0.30
QPCT Q16769 1/20 0.30
QPCTL Q9NXS2 1/20 0.30

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
SCHEMBL9591 0.78 QPCT (0.37) CRHR1PLAUCYP1A2METAP2QPCT
SCHEMBL1960426 0.77 PLAU (0.32) CRHR1PLAUCYP1A2METAP2QPCT
SCHEMBL9906411 0.66 GAA (0.39) CRHR1PLAUCYP1A2METAP2QPCT
SCHEMBL18855206 0.65 TUBB4A (0.34) CRHR1
SCHEMBL12375388 0.64 CYP1A2 (0.42) CYP1A2QPCTQPCTL
SCHEMBL12044436 0.64 CRHR1 (0.43) CRHR1PLAUCYP1A2METAP2NAMPT
SCHEMBL13920403 0.64 PDE4A (0.39) CRHR1PLAUCYP1A2METAP2NAMPT
SCHEMBL25392565 0.64 KMT2A (0.37) CRHR1PLAUCYP1A2METAP2QPCT
SCHEMBL17826393 0.64
SCHEMBL31416556 0.64 POLB (0.35)

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-2025042679-A1 FASTER AUTOMATED ITERATIVE C-C BOND FORMATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-27 WO disclosed