SCHEMBL7802584

SCHEMBL7802584

COC=C(Oc1ccc(Cl)cc1C(=O)O)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
CFD P00746 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7802582 1.00 GAA (0.47) GAATSHRALDH1A1HPGDMRGPRX4
SCHEMBL7795794 0.89 LMNA (0.41) ALDH1A1HPGDLMNACYP11B1CYP11B2
SCHEMBL7805464 0.89 ABL1 (0.46) ALDH1A1HPGDKDM4ELMNACYP11B1
SCHEMBL7795795 0.89 LMNA (0.41) ALDH1A1HPGDLMNACYP11B1CYP11B2
SCHEMBL7805468 0.89 ABL1 (0.46) ALDH1A1HPGDKDM4ELMNACYP11B1
SCHEMBL7795862 0.89 GAA (0.49) GAATSHRALDH1A1HPGDMRGPRX4
SCHEMBL7795857 0.89 GAA (0.49) GAATSHRALDH1A1HPGDMRGPRX4
SCHEMBL7801785 0.87 GAA (0.46) GAATSHRALDH1A1MRGPRX4TP53
SCHEMBL7801787 0.87 GAA (0.46) GAATSHRALDH1A1MRGPRX4TP53
SCHEMBL7806093 0.87 LMNA (0.45) GAAALDH1A1LMNACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed