SCHEMBL8875458

SCHEMBL8875458

CCOC(=O)C1C(C)C(C)C(C)N1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.35
ABCB1 P08183 1/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 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
SCHEMBL8876471 0.88 KMT2A (0.49) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL8876339 0.85 KMT2A (0.41) KMT2AMEN1SMN1; SMN2DPP4ALDH1A1
SCHEMBL8874935 0.82 SMN1; SMN2 (0.34) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL8318132 0.81 ABCB1 (0.33) KMT2AMEN1SMN1; SMN2GAAABCB1
SCHEMBL8876430 0.81 KMT2A (0.38) KMT2AMEN1SMN1; SMN2GAAABCB1
SCHEMBL8879187 0.80 KMT2A (0.38) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL8876270 0.79 KMT2A (0.40) KMT2AMEN1SMN1; SMN2GAAABCB1
SCHEMBL8983644 0.76 KMT2A (0.43) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL8875822 0.75 KMT2A (0.40) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL8875764 0.75 KMT2A (0.43) KMT2AMEN1SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693663-A PESTICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585384-A 1-OXY-FUNCTIONAL GROUP-2-ALKYLARYL-3-OXO-PYRROLIZINES; INSECTICIDES; NEMATOCIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5288874-A Insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed