SCHEMBL29956716

SCHEMBL29956716

COc1cccc2c(=O)c(C=O)coc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
MAOA P21397 11/20 0.51
MAOB P27338 3/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
PTPN2 P17706 1/20 0.40

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
SCHEMBL11614605 1.00 PTPN1 (0.56) PTPN1MEN1KMT2APOLBALDH1A1
SCHEMBL11637093 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL30307600 0.76 PTPN1 (0.62) PTPN1MEN1KMT2APOLBALDH1A1
SCHEMBL30307601 0.76 PTPN1 (0.62) PTPN1MEN1KMT2APOLBALDH1A1
SCHEMBL11637652 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL11618420 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL29952626 0.76 PTPN1 (0.51) PTPN1POLBALDH1A1LMNAHPGD
SCHEMBL1573192 0.76 PTPN1 (0.51) PTPN1POLBALDH1A1LMNAHPGD
SCHEMBL30937511 0.75 ALOX15 (0.54) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL11495850 0.75 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1LMNA

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