SCHEMBL8324496

SCHEMBL8324496

COC(=O)c1cc2c(Cl)ccc(C(C)C)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 3/20 0.48
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ULK1 O75385 1/20 0.41
▸ XDH P47989 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALPL P05186 2/20 0.39
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL8319918 0.85 GLA (0.48) GLAGAAULK1XDHCYP1A2
SCHEMBL8320394 0.81 GLA (0.45) GLAGAAULK1XDHCYP1A2
SCHEMBL18990285 0.80 IDO1 (0.48) EIF4A3GLAGAAXDHCYP1A2
SCHEMBL8324363 0.80 GAA (0.60) GLAGAAULK1XDHCYP1A2
SCHEMBL8323279 0.80 XDH (0.50) GLAGAAULK1XDHCYP1A2
SCHEMBL8324172 0.80 GLA (0.44) EIF4A3GLAGAAULK1XDH
SCHEMBL30310464 0.80 IDO1 (0.48) EIF4A3GLAGAAXDHCYP1A2
SCHEMBL8328414 0.79 GLA (0.43) GLAGAAULK1XDHCYP1A2
SCHEMBL4902737 0.78 GLA (0.36) EIF4A3GLAGAAULK1XDH
SCHEMBL30396135 0.77 NOTUM (0.43) GLAGAAXDHCYP1A2ALPL

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
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