SCHEMBL27809137

SCHEMBL27809137

CCCC1CC1(N)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 4/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
CPB2 Q96IY4 2/20 0.32
GRM4 Q14833 5/20 0.31
GRM6 O15303 4/20 0.31
GRM8 O00222 3/20 0.31
GRM3 Q14832 2/20 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
SCHEMBL375048 0.86 GRM2 (0.35) KMT2AGRM2GRM5GRM1GRM4
SCHEMBL6813803 0.81 GRM2 (0.30) GRM2GRM5GRM1
SCHEMBL3369422 0.81 GRM2 (0.36) GRM2GRM5GRM1GRM4GRM6
SCHEMBL13757812 0.81 GRM2 (0.36) GRM2GRM5GRM1GRM4GRM6
Hydrochloric Acid SCHEMBL3375949 0.79 GRM2 (0.35) GRM2GRM5GRM1GRM4GRM6
SCHEMBL14592183 0.78 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL25660668 0.74 GRM2 (0.59) GRM2GRM5GRM1GRM4GRM6
SCHEMBL27555679 0.74 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL28747535 0.71 ARG1 (0.35) ALDH1A1GRM2GRM5GRM1CPB2
SCHEMBL29681754 0.71 ARG1 (0.35) ALDH1A1GRM2GRM5GRM1CPB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801925-A antiviral compounds GILEAD SCIENCES INC 2010-08-11 CN disclosed