SCHEMBL8328414

SCHEMBL8328414

CCc1ccc(Cl)c2cc(C(=O)OC)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ALPL P05186 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ NR4A2 P43354 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 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
SCHEMBL8321740 0.91 GLA (0.40) GLAGAACDK1CCNB1XDH
SCHEMBL8319918 0.86 GLA (0.48) GLAGAACDK1CCNB1XDH
SCHEMBL8322286 0.84 FEN1 (0.44) GLAGAACYP1A2TSHRCYP2C19
SCHEMBL8320394 0.82 GLA (0.45) GLAGAACDK1CCNB1XDH
SCHEMBL8324363 0.81 GAA (0.60) GLAGAAXDHCYP1A2ALPL
SCHEMBL18990285 0.81 IDO1 (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL8323279 0.81 XDH (0.50) GLAGAAXDHCYP1A2ALPL
SCHEMBL30310464 0.81 IDO1 (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL8324496 0.79 EIF4A3 (0.48) GLAGAAXDHCYP1A2ALPL
SCHEMBL30396135 0.78 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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