SCHEMBL8580890

SCHEMBL8580890

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 5/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 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
SCHEMBL8578556 0.93 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1
SCHEMBL8579839 0.89 OPRM1 (0.32) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL8577972 0.88 KMT2A (0.39) MAPK1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8579728 0.88 KMT2A (0.39) MAPK1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8575771 0.86 MEN1 (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL8579787 0.85 KMT2A (0.37) MAPK1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8578647 0.83 MEN1 (0.31) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL8579607 0.83 ALDH1A1 (0.41) MAPK1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8576979 0.82 KMT2A (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1
SCHEMBL8578473 0.82 KMT2A (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1

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