SCHEMBL20034073

SCHEMBL20034073

C[C@H](O)[C@@H](/C=C\Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.48
HTT P42858 4/20 0.43
MAOB P27338 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ARG2 P78540 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL20034061 0.82 RCE1 (0.43) RCE1HTTMAOBCA1CA2
SCHEMBL24555311 0.80 HCAR2 (0.47) RCE1ALDH1A1LMNASLC1A3SLC1A2
SCHEMBL16308015 0.79 MAOB (0.44) RCE1HTTMAOBCA1CA2
SCHEMBL18786509 0.79 RCE1 (0.44) RCE1HTTCA1CA2ALDH1A1
SCHEMBL17663535 0.74 MAPT (0.53) RCE1HTTCA1CA2ALDH1A1
SCHEMBL7155541 0.74 MAPT (0.53) RCE1HTTCA1CA2ALDH1A1
SCHEMBL17679390 0.74 RCE1 (0.50) RCE1HTTALDH1A1LMNAHPGD
SCHEMBL10507303 0.73 CYP2C19 (0.44) RCE1HTTALDH1A1LMNAHPGD
SCHEMBL10507262 0.73 CYP2C19 (0.44) RCE1HTTALDH1A1LMNAHPGD
SCHEMBL10509033 0.73 CYP2C19 (0.44) RCE1HTTALDH1A1LMNAHPGD

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