SCHEMBL7658957

SCHEMBL7658957

CO/C=C(/C(=O)OC)c1ccccc1CO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL7658954 1.00 HPGD (0.46) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL7658965 1.00 HPGD (0.46) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL9944266 0.89 HPGD (0.41) HPGDLMNAALDH1A1KDM4ERCE1
SCHEMBL8179369 0.87 HPGD (0.49) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL5997905 0.86 HPGD (0.39) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL5257839 0.86 ALDH1A1 (0.41) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL29437612 0.86 ALDH1A1 (0.41) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL5997910 0.86 HPGD (0.39) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL20822602 0.86 HPGD (0.39) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL7455780 0.86 HPGD (0.39) HPGDLMNAL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465457-B1 CONTROLLING PATHOGENS ON PLANTS OR SEEDS ZENECA LIMITED (GB) 2002-10-15 US disclosed
US-5939563-A FUNGICIDES ZENECA LIMITED (GB) 1999-08-17 US disclosed
US-5777162-A Intermediates for the preparation of fungicides ZENECA LIMITED (GB) 1998-07-07 US disclosed
US-5585513-A CHEMICAL INTERMEDIATES ZENECA LIMITED (GB) 1996-12-17 US disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed