SCHEMBL8580757

SCHEMBL8580757

CCOC(=O)C1(OC(=O)Cc2ccc(C)cc2C)CCC(OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM1 Q13255 5/20 0.33
P2RX7 Q99572 1/20 0.33
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8578480 0.91 CHRM2 (0.36) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8580728 0.89 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8577169 0.89 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8579029 0.89 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8578003 0.85 MEN1 (0.32) SMN1; SMN2GAAL3MBTL1POLBMEN1
SCHEMBL13548003 0.85 TSHR (0.34) SMN1; SMN2GRM1
SCHEMBL8575823 0.83 KMT2A (0.40) SMN1; SMN2GAAL3MBTL1MEN1HTT
SCHEMBL13547993 0.82 GRM1 (0.33) SMN1; SMN2GAAGRM1OPRM1
SCHEMBL8578448 0.82 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8578542 0.81 OPRM1 (0.33) SMN1; SMN2GAAMEN1KMT2AOPRM1

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