SCHEMBL8578564

SCHEMBL8578564

CCOC(=O)C1(OC(=O)C(Cl)c2ccccc2F)CCC(OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
FDFT1 P37268 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
SLC22A1 O15245 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL8576984 0.89 OPRM1 (0.35) OPRM1OPRD1OPRK1SMN1; SMN2BRD4
SCHEMBL8578477 0.89 MMP1 (0.35) OPRM1OPRD1OPRK1SMN1; SMN2BRD4
SCHEMBL8578903 0.87 OPRM1 (0.34) OPRM1OPRD1OPRK1SMN1; SMN2BRD4
SCHEMBL8575952 0.80 SMN1; SMN2 (0.35) OPRM1OPRD1OPRK1SMN1; SMN2BRD4
SCHEMBL8578556 0.77 KMT2A (0.47) SMN1; SMN2ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL8580763 0.76 CASP1 (0.38) OPRM1SMN1; SMN2ALDH1A1POLBSLC6A4
SCHEMBL8580890 0.73 MAPK1 (0.38) SMN1; SMN2ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL8577363 0.72 MEN1 (0.34) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL8579839 0.72 OPRM1 (0.32) OPRM1OPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL8578652 0.72 CNR2 (0.32) OPRM1

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