SCHEMBL2227284

SCHEMBL2227284

CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.CCCC[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 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.44
CDC25A P30304 2/20 0.41
LMNA P02545 4/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KDM4E B2RXH2 1/20 0.38
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
TERT O14746 1/20 0.33
UCHL3 P15374 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRM2 P08172 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
SCHEMBL2230583 0.94 CDC25A (0.43) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2230226 0.93 CDC25A (0.46) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2230029 0.93 CDC25A (0.46) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2229075 0.93 CDC25A (0.46) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2229813 0.93 CDC25A (0.46) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2228620 0.93 CDC25A (0.46) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL2230324 0.88 KDM4E (0.41) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL28781004 0.84 KDM4E (0.41) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL18425616 0.84 CDC25A (0.44) BBOX1CDC25ALMNACYP3A4TSHR
SCHEMBL34829 0.83 BBOX1 (0.52) BBOX1CDC25ALMNACYP3A4TSHR

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