SCHEMBL8324172

SCHEMBL8324172

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ XDH P47989 2/20 0.43
▸ ULK1 O75385 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ EIF4A3 P38919 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 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
SCHEMBL8318563 0.86 GLA (0.49) GLAGAAXDHULK1CYP1A2
SCHEMBL8320394 0.81 GLA (0.45) GLAGAAXDHULK1CYP1A2
SCHEMBL8320971 0.81 KDM4E (0.59) GLAGAAXDHULK1CYP1A2
SCHEMBL8322220 0.81 GLA (0.45) GLAGAAXDHULK1CYP1A2
SCHEMBL8324052 0.81 XDH (0.55) GLAGAAXDHULK1CYP1A2
SCHEMBL8324496 0.80 EIF4A3 (0.48) GLAGAAXDHULK1CYP1A2
SCHEMBL8318131 0.79 GAA (0.44) GLAGAAXDHULK1CYP1A2
SCHEMBL8317583 0.78 GLA (0.43) GLAGAAXDHULK1CYP1A2
SCHEMBL8326994 0.77 GAA (0.42) GLAGAAXDHULK1CYP1A2
SCHEMBL22620594 0.77 ULK1 (0.49) GLAGAAXDHULK1CYP1A2

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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