SCHEMBL8580728

SCHEMBL8580728

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
OPRM1 P35372 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NLRP3 Q96P20 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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; SMN2GAAALOX12P2RX7L3MBTL1
SCHEMBL8578480 0.89 CHRM2 (0.36) SMN1; SMN2GAAALOX12P2RX7L3MBTL1
SCHEMBL8578647 0.86 MEN1 (0.31) GAAL3MBTL1OPRM1POLBALDH1A1
SCHEMBL8579029 0.86 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12P2RX7L3MBTL1
SCHEMBL8579607 0.84 ALDH1A1 (0.41) GAAP2RX7L3MBTL1ALDH1A1KDM4E
SCHEMBL8579839 0.82 OPRM1 (0.32) SMN1; SMN2GAAOPRM1POLBALDH1A1
SCHEMBL8578448 0.80 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12P2RX7L3MBTL1
SCHEMBL8577169 0.80 SMN1; SMN2 (0.34) SMN1; SMN2GAAALOX12P2RX7L3MBTL1
SCHEMBL8580890 0.78 MAPK1 (0.38) SMN1; SMN2GAAL3MBTL1POLBALDH1A1
SCHEMBL8578652 0.78 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