SCHEMBL29953230

SCHEMBL29953230

COCOc1ccc(B(O)O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
PTPN1 P18031 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 3/20 0.35
FYN P06241 4/20 0.35
ENPP2 Q13822 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.33
KMT2A Q03164 1/20 0.33
FKBP1A P62942 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDIA6 Q15084 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
SCHEMBL16335197 1.00 HPGD (0.37) HPGDPTPN1MCL1ATMRAB9A
SCHEMBL6886441 0.86 ATM (0.39) HPGDPTPN1MCL1ATMRAB9A
SCHEMBL772019 0.82 ENPP2 (0.37) PTPN1FYNENPP2CA1CA2
SCHEMBL3316169 0.81 NQO1 (0.48) HPGDSMN1; SMN2NPC1KMT2AMAPT
SCHEMBL204912 0.81 PTPN1 (0.38) HPGDPTPN1MCL1ATMFYN
SCHEMBL29952345 0.81 NQO1 (0.48) HPGDSMN1; SMN2NPC1KMT2AMAPT
SCHEMBL1918176 0.81 ENPP2 (0.44) FYNENPP2CA1CA2MAPT
SCHEMBL29636771 0.79 CA1 (0.50) MCL1ENPP2CA1CA2SMN1; SMN2
SCHEMBL42032 0.79 CA1 (0.50) MCL1ENPP2CA1CA2SMN1; SMN2
SCHEMBL10271335 0.79 HPGD (0.49) HPGDATMRAB9ASMN1; SMN2NPC1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed