SCHEMBL8323663

SCHEMBL8323663

COC(=O)c1[nH]c2c(C)ccc(Cl)c2c1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
CAPN1 P07384 3/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSH P09668 1/20 0.38
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 2/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NR4A2 P43354 2/20 0.36
NPC1 O15118 2/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35
MET P08581 2/20 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
SCHEMBL8320679 0.92 LMNA (0.42) NPSR1LMNATSHRHTTGAA
SCHEMBL8323736 0.88 NPSR1 (0.41) NPSR1LMNAHTTGAAALOX15
SCHEMBL8319119 0.84 NR4A2 (0.38) LMNATSHRHTTGAARAB9A
SCHEMBL8319604 0.83 LMNA (0.40) LMNATSHRHTTGAARAB9A
SCHEMBL8320986 0.83 MAPT (0.46) LMNATSHRHTTALOX15RAB9A
SCHEMBL8324480 0.79 NR4A2 (0.41) NPSR1LMNATSHRHTTGAA
SCHEMBL8326080 0.78 CYP1A2 (0.40) NPSR1LMNATSHRHTTGAA
SCHEMBL8320947 0.77 LMNA (0.41) LMNAHTTGAARAB9AMAPT
SCHEMBL8323510 0.77 HPGD (0.39) LMNATSHRRAB9AMAPTMAPK1
SCHEMBL8318820 0.75 NR4A2 (0.40) NPSR1LMNATSHRHTTGAA

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