SCHEMBL2449985

SCHEMBL2449985

NCCNOC(=O)CCCC(=O)ONCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.39
CYP1A2 P05177 2/20 0.39
CA12 O43570 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 4/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL10836953 0.95 CNR2 (0.45) TSHRCNR2CNR1CYP1A2CA12
SCHEMBL11875955 0.93 CNR2 (0.47) TSHRCNR2CNR1CYP1A2KMT2A
SCHEMBL11141230 0.93 CNR2 (0.47) TSHRCNR2CNR1CYP1A2KMT2A
SCHEMBL518644 0.91 TSHR (0.38) TSHRCNR2CNR1CYP1A2CA12
SCHEMBL10629701 0.90 TSHR (0.48) TSHRCNR2CNR1CYP1A2KMT2A
SCHEMBL2449939 0.90 CA12 (0.44) TSHRCNR2CNR1CYP1A2CA12
SCHEMBL1519548 0.88 CNR2 (0.44) TSHRCNR2CNR1CYP1A2
SCHEMBL27638762 0.87 CYP1A2 (0.61) TSHRCNR2CNR1CYP1A2KMT2A
Ammonia Solution, Strong SCHEMBL27715413 0.86 CNR2 (0.34) CNR2CNR1CYP1A2LMNAKDM4E
SCHEMBL8508370 0.86 CNR2 (0.58) TSHRCNR2CNR1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546297-B1 HIGH CONCENTRATION SURFACTANT COMPOSITIONS AND METHODS RHODIA OPERATIONS (FR) 2011-09-28 EP disclosed
US-7449435-B2 High concentration surfactant compositions and methods MCINTYRE GROUP, LTD. (US) 2008-11-11 US disclosed
US-20070270326-A1 High concentration surfactant compositions and methods MCINTYRE GROUP, LTD. 2007-11-22 US disclosed
US-7256164-B2 High concentration surfactant compositions and methods MCINTYRE GROUP, LTD. (US) 2007-08-14 US disclosed
EP-1546297-A4 HIGH CONCENTRATION SURFACTANT COMPOSITIONS AND METHODS MCINTYRE GROUP LTD (US) 2006-06-07 EP disclosed
EP-1546297-A2 HIGH CONCENTRATION SURFACTANT COMPOSITIONS AND METHODS McINTYRE GROUP, LTD. (US) 2005-06-29 EP disclosed
US-20050037942-A1 High concentration surfactant compositions and methods RHODIA OPERATIONS (FR) 2005-02-17 US disclosed
WO-2004015047-A2 HIGH CONCENTRATION SURFACTANT COMPOSITIONS AND METHODS MCINTYRE GROUP, LTD. (US) 2004-02-19 WO disclosed