SCHEMBL11023629

SCHEMBL11023629

CCC(C)(C)C1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
S1PR5 Q9H228 1/20 0.41
HSD11B1 P28845 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRA6 Q16445 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
SCHEMBL11029634 1.00 LMNA (0.42) LMNAPLGPLATS1PR5HSD11B1
SCHEMBL18628984 0.88 GRM2 (0.37) LMNAPLGPLATS1PR5HSD11B1
SCHEMBL28858258 0.84 HSD11B1 (0.36) LMNAS1PR5HSD11B1GAAKDM4E
SCHEMBL863219 0.83 LMNA (0.42) LMNAPLGPLATS1PR5HSD11B1
SCHEMBL16205299 0.82 LMNA (0.41) LMNAPLGPLATS1PR5HSD11B1
SCHEMBL881189 0.81 LMNA (0.43) LMNAPLGPLATHSD11B1GABRP
SCHEMBL1769072 0.79 GRM2 (0.35) LMNAS1PR5GAAALDH1A1MAPT
SCHEMBL2151480 0.79
SCHEMBL2675870 0.78 LMNA (0.48) LMNAPLGPLATHSD11B1GABRP
SCHEMBL1835961 0.78 GLA (0.50) LMNAPLGPLATS1PR5HSD11B1

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
EP-0077550-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-07-10 EP disclosed
EP-0077551-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-06-12 EP disclosed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US disclosed
US-4485116-A NAPHTHOQUINONE COMPOUNDS BURROUGHS WELLCOME CO. 1984-11-27 US disclosed
EP-0077550-A2 1.4-Naphthoquinones, methods for their preparation and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP disclosed
EP-0077551-A2 1.4-Naphthoquinones, methods for their preparation, pharmaceutical and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP disclosed