SCHEMBL2229614

SCHEMBL2229614

CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.CC[N+]1(C)CCCC1.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 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
CDC25A P30304 1/20 0.33
BBOX1 O75936 2/20 0.32
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
Phosphoric Acid SCHEMBL28949888 0.91 BBOX1 (0.39) KDM4ECDC25ABBOX1KMT2ACYP3A4
Phosphoric Acid SCHEMBL28949856 0.88 CDC25A (0.41) KDM4ECDC25ABBOX1KMT2ACYP3A4
SCHEMBL2230324 0.83 KDM4E (0.41) KDM4ECDC25ABBOX1KMT2ACYP3A4
SCHEMBL28949861 0.81 KDM4E (0.32) KDM4EBBOX1
SCHEMBL142703 0.80
Diethyl Hydrogen Phosphate SCHEMBL829439 0.79 CDC25A (0.42) KDM4ECDC25ATSHRTDP1
SCHEMBL2227284 0.79 BBOX1 (0.44) KDM4ECDC25ABBOX1KMT2ACYP3A4
SCHEMBL28949890 0.79 KDM4E (0.35) KDM4ECDC25AKMT2ALMNA
SCHEMBL2231227 0.79
SCHEMBL28781004 0.78 KDM4E (0.41) KDM4ECDC25ABBOX1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO claimed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
EP-1730157-B1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed