SCHEMBL8580766

SCHEMBL8580766

CCOC(=O)C1(OC(=O)Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CCC(OC(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CETP P11597 1/20 0.34
GPR35 Q9HC97 1/20 0.33
IDH1 O75874 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL8580578 0.89 MEN1 (0.37) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8578405 0.89 MEN1 (0.37) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8575771 0.88 MEN1 (0.36) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8579787 0.85 KMT2A (0.37) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL8580772 0.83 GPR35 (0.34) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8576874 0.81 MEN1 (0.35) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8578898 0.81 KMT2A (0.47) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL8575931 0.81 MEN1 (0.35) KMT2AMEN1L3MBTL1ALDH1A1CETP
SCHEMBL8576670 0.81 MEN1 (0.31) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL8576897 0.79 DEGS1 (0.33) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed