SCHEMBL8577972

SCHEMBL8577972

CCOC(=O)C1(OC(=O)Cc2c(Cl)cccc2Cl)CCC(OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.37
GAA P10253 2/20 0.37
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8576979 0.93 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8579728 0.91 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8578542 0.89 OPRM1 (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL8579787 0.88 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8580890 0.88 MAPK1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8579077 0.88 KDM4E (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8580578 0.84 MEN1 (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8578473 0.84 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12214963 0.82 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8575949 0.82 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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