SCHEMBL30467792

SCHEMBL30467792

COc1ccc(CNc2cnnc3cc(-c4cc(B(O)O)ccc4OCCOCCOCCOCCNC(=O)OC(C)(C)C)ccc23)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.36
CNR2 P34972 3/20 0.36
KDM4C Q9H3R0 1/20 0.34
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2C19 P33261 6/20 0.34
ALDH1A1 P00352 6/20 0.34
TSHR P16473 5/20 0.34
HSD17B10 Q99714 4/20 0.34
LMNA P02545 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MAPK1 P28482 2/20 0.34
DYRK1A Q13627 1/20 0.33
USP2 O75604 2/20 0.33
SUCNR1 Q9BXA5 2/20 0.33
ABCB1 P08183 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL30467572 0.91 CNR2 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL30467703 0.91 CNR2 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL26771967 0.91 CNR2 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL26781139 0.86 PRMT5 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL30467599 0.86 PRMT5 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL30467817 0.86 PRMT5 (0.37) BCHECNR2KDM4CCYP1A2CYP3A4
SCHEMBL25212977 0.85 CYP1A2 (0.37) BCHECNR2CYP1A2CYP3A4CYP2C19
SCHEMBL31753942 0.85 CYP1A2 (0.37) BCHECNR2CYP1A2CYP3A4CYP2C19
Acetic Acid SCHEMBL30467772 0.82 CYP1A2 (0.36) BCHECNR2CYP1A2CYP3A4CYP2C19
SCHEMBL25241818 0.82 GCGR (0.39) CNR2KDM4CCYP1A2CYP3A4CYP2C19

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
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed