SCHEMBL8575771

SCHEMBL8575771

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GPR35 Q9HC97 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RECQL P46063 2/20 0.32
P2RX7 Q99572 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 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
SCHEMBL8580578 0.90 MEN1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1GPR35
SCHEMBL8578405 0.90 MEN1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1GPR35
SCHEMBL8580766 0.88 KMT2A (0.35) MEN1KMT2AL3MBTL1ALDH1A1GPR35
SCHEMBL8580890 0.86 MAPK1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL8575776 0.82 GPR35 (0.35) MEN1KMT2AALDH1A1GPR35POLB
SCHEMBL8575931 0.82 MEN1 (0.35) MEN1KMT2AL3MBTL1ALDH1A1GPR35
SCHEMBL8578556 0.82 KMT2A (0.47) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL8576874 0.82 MEN1 (0.35) MEN1KMT2AL3MBTL1ALDH1A1GPR35
SCHEMBL8578647 0.82 MEN1 (0.31) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL8579839 0.80 OPRM1 (0.32) MEN1KMT2AALDH1A1POLBGAA

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