SCHEMBL1250787

SCHEMBL1250787

CC(CN(CCO)CCO)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA3 P32297 2/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL16752081 0.86 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA4CHRNA3MAPT
SCHEMBL3676295 0.80 MAPT (0.33) MAPTKDM4ECYP1A2CYP2C9HPGD
SCHEMBL1408981 0.80 SIGMAR1 (0.41) CHRNB2CHRNB4CHRNA4CHRNA3MAPT
Trolamine SCHEMBL28825124 0.78 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4CHRNA3MAPT
SCHEMBL2127932 0.78 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA4CHRNA3SIGMAR1
SCHEMBL1251000 0.76 CYP1A2 (0.36) MAPTKDM4ECYP1A2CYP2C9HPGD
SCHEMBL339998 0.76 MAPT (0.45) MAPTKDM4ENPSR1CYP1A2CYP2C9
Trolamine SCHEMBL28239093 0.74 MAPT (0.43) CHRNB2CHRNB4CHRNA4CHRNA3MAPT
SCHEMBL20994688 0.74 TDP1 (0.40) MAPTKDM4ENPSR1CYP1A2CYP2C9
SCHEMBL131477 0.74 TDP1 (0.40) MAPTKDM4ENPSR1CYP1A2CYP2C9

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-1434755-B1 A NITROGEN-CONTAINING ORTHO ESTER-BASED SURFACTANT, ITS PREPARATION AND USE AKZO NOBEL NV (NL) 2011-02-09 EP disclosed
US-7713916-B2 Orthoester-based surfactants and associated methods HALLIBURTON ENERGY SERVICES, INC. (US) 2010-05-11 US disclosed
US-7700525-B2 Orthoester-based surfactants and associated methods HALLIBURTON ENERGY SERVICES, INC. (US) 2010-04-20 US disclosed
US-20100016184-A1 Orthoester-Based Surfactants and Associated Methods HALLIBURTON ENERGY SERVICES, INC. 2010-01-21 US disclosed
US-7288510-B2 Nitrogen-containing ortho ester-based surfactant, its preparation and use AKZO NOBEL N.V. (NL) 2007-10-30 US disclosed
US-20070066492-A1 Orthoester-based surfactants and associated methods HALLIBURTON ENERGY SERVICES, INC. 2007-03-22 US disclosed
US-20070066493-A1 Orthoester-based surfactants and associated methods HALLIBURTON ENERGY SERVICES, INC. 2007-03-22 US disclosed
US-20040198631-A1 Nitrogen-containing ortho ester-based surfactant, its preparation and use AKZO NOBEL N.V. (NL) 2004-10-07 US disclosed