SCHEMBL20034083

SCHEMBL20034083

C=C[C@H](O)[C@@H](/C=C\C=C\OC)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
HTT P42858 4/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL16308017 0.87 RCE1 (0.37) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL20034061 0.79 RCE1 (0.43) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL20034084 0.74 RCE1 (0.35) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL21440862 0.73 RCE1 (0.58) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL22297298 0.73 RCE1 (0.58) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL18786509 0.73 RCE1 (0.44) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL30999477 0.73 RCE1 (0.43) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL13207904 0.73 RCE1 (0.39) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL15843840 0.71 MAPT (0.43) RCE1HTTSLC1A3SLC1A2SLC1A1
SCHEMBL24996979 0.70 SLC1A3 (0.41) RCE1SLC1A3SLC1A2SLC1A1KMT2A

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-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed