SCHEMBL6567505

SCHEMBL6567505

CC1(C)CCC(C(=O)O)CC(C)(C)N1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
GRM4 Q14833 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
LMNA P02545 1/20 0.44
GRM5 P41594 1/20 0.44
MTOR P42345 1/20 0.44
GRM1 Q13255 1/20 0.44
PLCB1 Q9NQ66 1/20 0.44
APLNR P35414 1/20 0.43
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 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
SCHEMBL676895 0.86 APLNR (0.58) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL224980 0.86 APLNR (0.58) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL17586729 0.77 TSHR (0.41) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL15568682 0.76 APLNR (0.42) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL6567906 0.74 GAA (0.31)
SCHEMBL23590185 0.73 APLNR (0.65) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL8318891 0.73 APLNR (0.65) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL17212627 0.73 APLNR (0.65) TSHRGRM2GRM3GRM4CYP2C19
SCHEMBL7178038 0.73 APLNR (0.36) APLNRMAOB
SCHEMBL15304339 0.71 GRM2 (0.50) TSHRGRM2GRM3GRM4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US claimed
EP-0921134-B1 Process for producing a shaped product MENICON CO LTD (JP) 2004-04-07 EP disclosed
US-6569968-B1 Using polymerization catalyst KURITA WATER INDUSTRIES LTD. (JP) 2003-05-27 US disclosed
US-6265499-B1 POLYMERIZING MIXTURE MENICON CO., LTD. (JP) 2001-07-24 US disclosed
EP-1077200-A2 Polymer of a water-soluble radical-polymerizable monomer, process for producing the polymer and flocculant comprising the polymer KURITA WATER INDUSTRIES LTD. (JP) 2001-02-21 EP disclosed
EP-0921134-A1 Process for producing a shaped product Menicon Co., Ltd. (JP) 1999-06-09 EP disclosed