SCHEMBL8096961

SCHEMBL8096961

COC(=O)CC1(CC(=O)Cc2ccc(C)cc2C)CCC(OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX7 Q99572 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 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
SCHEMBL8082675 0.91 THRB (0.37) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8082691 0.90 CHRM2 (0.35) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8094219 0.89 L3MBTL1 (0.42) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8089333 0.88 L3MBTL1 (0.42) L3MBTL1POLBNPC1RAB9AMMP1
SCHEMBL8090768 0.88 L3MBTL1 (0.42) L3MBTL1POLBNPC1RAB9AMMP1
SCHEMBL8082664 0.88 P2RX7 (0.35) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8090895 0.87 KDM4E (0.35) L3MBTL1POLBNPC1RAB9AP2RX7
SCHEMBL8089426 0.85 DPP4 (0.32) P2RX7KMT2AMAPT
SCHEMBL8094121 0.84 L3MBTL1 (0.34) L3MBTL1POLBNPC1RAB9AP2RX7
Bicarbonate SCHEMBL8849115 0.83 NPC1 (0.35) L3MBTL1POLBNPC1RAB9AP2RX7

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