SCHEMBL9682979

SCHEMBL9682979

CCCC1(CCC)CCC(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
GRM4 Q14833 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRM5 P41594 1/20 0.38
MTOR P42345 1/20 0.38
GRM1 Q13255 1/20 0.38
PLCB1 Q9NQ66 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
APLNR P35414 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL29058171 0.85
SCHEMBL10019507 0.83
SCHEMBL9682133 0.83 LMNA (0.41) GRM2GRM3GRM4LMNATSHR
SCHEMBL10500775 0.82 APLNR (0.40) GRM2GRM3GRM4LMNATSHR
SCHEMBL28226552 0.80 CYP2C19 (0.40) GRM2GRM3GRM4LMNATSHR
SCHEMBL16892274 0.79 GRM2 (0.35) GRM2GRM3GRM4LMNATSHR
SCHEMBL16887652 0.77 LMNA (0.37) GRM2GRM3GRM4LMNATSHR
SCHEMBL29397854 0.74 LMNA (0.36) GRM2GRM3GRM4LMNATSHR
SCHEMBL2870169 0.74 CYP1A2 (0.46) GRM2GRM3GRM4LMNATSHR
SCHEMBL15111177 0.74 LMNA (0.41) GRM2GRM3GRM4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed