SCHEMBL8082691

SCHEMBL8082691

CCOC1CCC(CC(=O)Cc2ccc(C)cc2C)(CC(=O)OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MMP1 P03956 4/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32
PSMB5 P28074 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
FPR3 P25089 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
SCHEMBL8096961 0.90 L3MBTL1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8082675 0.88 THRB (0.37) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL8082664 0.87 P2RX7 (0.35) P2RX7SMN1; SMN2POLBL3MBTL1NPC1
SCHEMBL8090780 0.87 MMP1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8094219 0.86 L3MBTL1 (0.42) P2RX7SMN1; SMN2POLBL3MBTL1NPC1
SCHEMBL8089333 0.85 L3MBTL1 (0.42) SMN1; SMN2POLBL3MBTL1NPC1RAB9A
SCHEMBL8090768 0.85 L3MBTL1 (0.42) SMN1; SMN2POLBL3MBTL1NPC1RAB9A
SCHEMBL8090895 0.84 KDM4E (0.35) P2RX7POLBL3MBTL1NPC1RAB9A
Bicarbonate SCHEMBL8848615 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8090584 0.82 RECQL (0.41) P2RX7L3MBTL1KMT2AMEN1

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-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed