SCHEMBL2228035

SCHEMBL2228035

CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.CC[n+]1cccc(C)c1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.54
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 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
SCHEMBL2227740 0.87 GGPS1 (0.51) GGPS1LMNAL3MBTL1PABPC1KMT2A
SCHEMBL29556923 0.85
SCHEMBL294294 0.85
SCHEMBL2229934 0.84 LMNA (0.49) GGPS1LMNAKDM4EALDH1A1
SCHEMBL2228193 0.84 GGPS1 (0.49) GGPS1LMNAKDM4EALDH1A1
Sulfuric Acid SCHEMBL29142282 0.84 LMNA (0.46) GGPS1LMNAL3MBTL1PABPC1KMT2A
Fluoride Ion SCHEMBL30212627 0.83 PABPC1 (0.47) GGPS1LMNAL3MBTL1PABPC1KMT2A
Water SCHEMBL15375305 0.83 PABPC1 (0.47) GGPS1LMNAL3MBTL1PABPC1KMT2A
Hydrochloric Acid SCHEMBL557275 0.83 PABPC1 (0.47) GGPS1LMNAL3MBTL1PABPC1KMT2A
Hydrochloric Acid SCHEMBL30330570 0.83 PABPC1 (0.47) GGPS1LMNAL3MBTL1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730157-B1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-1730157-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005105815-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2005-11-10 WO disclosed