SCHEMBL8575957

SCHEMBL8575957

CCOC(=O)C1(OC(=O)Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8579353 0.85 TDP1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8579588 0.81 SMN1; SMN2 (0.48) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8578483 0.81 MEN1 (0.33) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL8577175 0.79 GPR35 (0.36) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8578569 0.79 CYP19A1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8579083 0.78 ADCY8 (0.41) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8580578 0.74 MEN1 (0.37) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8578405 0.74 MEN1 (0.37) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8575931 0.74 MEN1 (0.35) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8576874 0.74 MEN1 (0.35) GPR35MEN1KMT2AL3MBTL1ALDH1A1

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