SCHEMBL6578342

SCHEMBL6578342

C=Cc1cc(OC(C)C)ccc1OC(=O)C(C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.37
PARP10 Q53GL7 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A3 P47895 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
MDM2 Q00987 2/20 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
SCHEMBL3673788 0.92 ALDH1A1 (0.36) ALDH1A1KMT2APARP10SIRT2ERN1
SCHEMBL6935704 0.80 ALDH1A1 (0.41) ALDH1A1KMT2APARP10SIRT2ERN1
SCHEMBL3682833 0.75 KMT2A (0.53) ALDH1A1KMT2APARP10ALDH1A3POLB
SCHEMBL3688114 0.72 XDH (0.40) ALDH1A1KMT2APARP10HTTMEN1
SCHEMBL925957 0.71 ALDH1A1 (0.44) ALDH1A1KMT2APARP10KDM4EGAA
SCHEMBL16309558 0.71 JUN (0.45) ALDH1A1KMT2AERN1HTTMEN1
SCHEMBL12885255 0.71 ALDH1A1 (0.41) ALDH1A1KMT2APARP10SIRT2ALDH1A3
SCHEMBL15548190 0.69 ALOX15 (0.57) ALDH1A1KMT2APARP10ALDH1A3POLB
SCHEMBL6932787 0.69 ALDH1A1 (0.40) ALDH1A1KMT2APARP10SIRT2ALDH1A3
SCHEMBL340676 0.69 TSHR (0.43) ALDH1A1KMT2APARP10HTTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 WO disclosed