SCHEMBL8322158

SCHEMBL8322158

CCCOc1ccc(C)c2[nH]c(C(=O)OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B10 Q99714 2/20 0.39
XDH P47989 1/20 0.39
MAPT P10636 1/20 0.39
PDE4D Q08499 1/20 0.37
ALPL P05186 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ULK1 O75385 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
SMPD1 P17405 3/20 0.36
MTNR1A P48039 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
SCHEMBL8318131 0.90 GAA (0.44) GLAGAAKDM4EHPGDXDH
SCHEMBL8320971 0.84 KDM4E (0.59) GLAGAAKDM4EHPGDHSD17B10
SCHEMBL8323411 0.82 GAA (0.41) GLAGAAKDM4EHPGDXDH
SCHEMBL8321513 0.82 KDM4E (0.41) GLAGAAKDM4EHPGDHSD17B10
SCHEMBL8323967 0.81 SRD5A2 (0.50) GLAGAAKDM4EHPGDHDAC1
SCHEMBL8318563 0.80 GLA (0.49) GLAGAAKDM4EHPGDHSD17B10
SCHEMBL8319614 0.75 GAA (0.62) GLAGAAKDM4EHPGDHSD17B10
SCHEMBL8320394 0.75 GLA (0.45) GLAGAAKDM4EHPGDXDH
SCHEMBL8322220 0.75 GLA (0.45) GLAGAAKDM4EHPGDXDH
SCHEMBL8324052 0.75 XDH (0.55) GLAGAAKDM4EHPGDXDH

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
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed