SCHEMBL6516703

SCHEMBL6516703

Cc1cc(C)c(O)c(CN(Cc2cc(C)cc(C)c2O)Cc2cc(C#N)cc(C)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
ERBB2 P04626 4/20 0.39
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SHBG P04278 1/20 0.31

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
SCHEMBL29757308 0.85 KDM4E (0.45) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL3641661 0.85 KDM4E (0.45) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL6517991 0.80 HSPA5 (0.54) EGFRERBB2TTRALBKDM4E
SCHEMBL30487695 0.78 KDM4E (0.42) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL16595156 0.77 EGFR (0.39) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL13623361 0.76 SHBG (0.53) EGFRERBB2TTRALBKDM4E
SCHEMBL1175359 0.76 TTR (0.45) TTRALBKDM4EALDH1A1MAPT
SCHEMBL13623355 0.73 TTR (0.42) TTRALBKDM4EALDH1A1MAPT
SCHEMBL6914086 0.73 MAPT (0.46) EGFRERBB2KDM4EALDH1A1MAPT
SCHEMBL197918 0.73 TTR (0.58) EGFRERBB2TTRALBKDM4E

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-20050009687-A1 Titanium alkoxide catalysts for polymerization of cyclic esters and methods of polymerization NATIONAL SCIENCE FOUNDATION 2005-01-13 US disclosed