SCHEMBL8320394

SCHEMBL8320394

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
XDH P47989 1/20 0.44
CYP1A2 P05177 1/20 0.41
ALPL P05186 2/20 0.41
ABL1 P00519 3/20 0.40
SRC P12931 3/20 0.40
HRH4 Q9H3N8 1/20 0.39
NR4A2 P43354 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
ULK1 O75385 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
FBP1 P09467 1/20 0.38

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 0.89 GLA (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL8318535 0.88 GLA (0.45) GLAGAAXDHCYP1A2ALPL
SCHEMBL8318563 0.87 GLA (0.49) GLAGAAXDHCYP1A2ALPL
SCHEMBL8318032 0.85 CDK1 (0.54) GLAGAAALPLCDK1CCNB1
SCHEMBL8324363 0.84 GAA (0.60) GLAGAAXDHCYP1A2ALPL
SCHEMBL8323279 0.84 XDH (0.50) GLAGAAXDHCYP1A2ALPL
SCHEMBL18990285 0.84 IDO1 (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL30310464 0.84 IDO1 (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL8328414 0.82 GLA (0.43) GLAGAAXDHCYP1A2ALPL
SCHEMBL23049740 0.82 XDH (0.44) 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