SCHEMBL13273336

SCHEMBL13273336

COC(=O)CC1=C(c2cc(-c3ncc(Cl)cc3Cl)ccc2C)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ IL2 P60568 3/20 0.35
▸ NR4A1 P22736 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL12129771 0.83 IL2 (0.35) POLBMAPTIL2NR4A1LMNA
SCHEMBL12128955 0.82 ACACB (0.36) IL2METAP2
SCHEMBL15800883 0.81 ACACB (0.34) MAPTIL2
SCHEMBL13273345 0.78 IL2 (0.33) IL2ALDH1A1HSD17B10
SCHEMBL12131592 0.76 IL2 (0.36) POLBMAPTIL2LMNAKMT2A
SCHEMBL13219203 0.72 PTGS1 (0.32) POLBIL2ALDH1A1METAP2TSHR
SCHEMBL12129782 0.72 IL2 (0.36) IL2
SCHEMBL12129224 0.70 ACACB (0.37) IL2HSD17B10
SCHEMBL13273423 0.70 IL2 (0.34) IL2HSD17B10
SCHEMBL3025235 0.67 CNR2 (0.37) METAP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081688-A2 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 — — WO disclosed
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