SCHEMBL7658115

SCHEMBL7658115

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AKR1C2 P52895 1/20 0.36
GLA P06280 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL7658118 1.00 HPGD (0.44) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL3459377 0.86 CA12 (0.36) HPGDLMNAL3MBTL1TP53CYP2C9
SCHEMBL7459526 0.86 ALDH1A1 (0.39) HPGDLMNACYP2C9HIF1ACA12
SCHEMBL7457939 0.86 CA12 (0.36) HPGDLMNAL3MBTL1NPC1CYP2C9
SCHEMBL5998853 0.86 CA12 (0.36) HPGDLMNAL3MBTL1TP53CYP2C9
SCHEMBL5080478 0.86 ALDH1A1 (0.39) HPGDLMNACYP2C9HIF1ACA12
SCHEMBL7658957 0.86 HPGD (0.46) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL5998857 0.86 CA12 (0.36) HPGDLMNAL3MBTL1TP53CYP2C9
SCHEMBL7457946 0.86 CA12 (0.36) HPGDLMNAL3MBTL1NPC1CYP2C9
SCHEMBL7658965 0.86 HPGD (0.46) HPGDLMNAGAAL3MBTL1TP53

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 7 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
EP-0606251-B1 FUNGICIDES ZENECA LTD (GB) 1997-01-08 EP disclosed
US-5585513-A CHEMICAL INTERMEDIATES ZENECA LIMITED (GB) 1996-12-17 US disclosed
EP-0711751-A1 Process for the preparation of intermediates for oxime ether- or 2-phenyl-3-methyl propenoate-fungicides ZENECA LIMITED (GB) 1996-05-15 EP disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed