SCHEMBL739697

SCHEMBL739697

NC12CCC(CC1)C(CC(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 4/20 0.42
SLC6A11 P48066 4/20 0.42
SLC6A13 Q9NSD5 3/20 0.42
GRM2 Q14416 4/20 0.41
GRM1 Q13255 3/20 0.41
GRM5 P41594 2/20 0.41
POLB P06746 1/20 0.33
GRM4 Q14833 3/20 0.32
GRM3 Q14832 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
TSHR P16473 1/20 0.32
ARG1 P05089 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
SCHEMBL9938778 0.69 SLC6A12 (0.48) SLC6A12SLC6A11GRM2GRM1GRM5
SCHEMBL9278180 0.66 SLC6A12 (0.57) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL3065795 0.63 ANPEP (0.44) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL11611772 0.63 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13POLBTDP1
SCHEMBL11051978 0.62 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL1925986 0.62 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL13319985 0.61 GRM4 (0.53) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL7813699 0.61 GRM4 (0.53) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL19032979 0.61 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GRM2GRM1
SCHEMBL28777375 0.61

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
EP-2430195-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE Biomatrica, INC. (US) 2012-03-21 EP disclosed
WO-2010132508-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2010-11-18 WO disclosed