SCHEMBL8577169

SCHEMBL8577169

CCOC(=O)C1(OC(=O)Cc2ccc(C)cc2C)CCCC(OC)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.32
POLB P06746 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL8580757 0.89 SMN1; SMN2 (0.35) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8575814 0.86 MEN1 (0.33) SMN1; SMN2GAAL3MBTL1POLBOPRM1
SCHEMBL8576660 0.84 KMT2A (0.41) SMN1; SMN2GAAL3MBTL1POLBMEN1
SCHEMBL8578448 0.84 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8578480 0.82 CHRM2 (0.36) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8576766 0.82 SMN1; SMN2 (0.34) SMN1; SMN2GAAPOLBOPRM1OPRD1
SCHEMBL8580728 0.80 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8579029 0.80 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8578476 0.78 OPRM1 (0.35) SMN1; SMN2GAAALOX12L3MBTL1POLB
SCHEMBL8579077 0.78 KDM4E (0.39) SMN1; SMN2GAAL3MBTL1POLBMEN1

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