SCHEMBL2228620

SCHEMBL2228620

CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[N+]1(C)CCCC1.CCCCCCCCC[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 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.46
LMNA P02545 4/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
BBOX1 O75936 2/20 0.42
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
KMT2A Q03164 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
TERT O14746 1/20 0.37
UCHL3 P15374 1/20 0.37
AKT1 P31749 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL2230226 1.00 CDC25A (0.46) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2230029 1.00 CDC25A (0.46) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2229813 1.00 CDC25A (0.46) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2229075 1.00 CDC25A (0.46) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2230583 0.98 CDC25A (0.43) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2227284 0.93 BBOX1 (0.44) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL2230324 0.85 KDM4E (0.41) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL5307532 0.84 GNAI3 (0.52) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL899013 0.84 GNAI3 (0.52) CDC25ALMNACYP3A4TSHRTDP1
SCHEMBL372381 0.84 GNAI3 (0.52) CDC25ALMNACYP3A4TSHRTDP1

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