SCHEMBL1251007

SCHEMBL1251007

CC=C(N(CC)CC)N(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ALDH2 P05091 1/20 0.46
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
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

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
SCHEMBL3676299 0.89 MAPT (0.40) ALDH1A1ALDH2MAPTCA12CA1
SCHEMBL2167597 0.84 EHMT2 (0.38) ALDH1A1ALDH2MAPTCA12CA1
SCHEMBL1250793 0.77 MAPT (0.41) ALDH1A1ALDH2MAPTCA12CA1
SCHEMBL10662731 0.73 CA12 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL9683654 0.69 ALDH1A1 (0.50) ALDH1A1ALDH2MAPTCA12CA1
SCHEMBL10664067 0.69 CA12 (0.46) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL16752024 0.67 TSHR (0.33)
SCHEMBL871699 0.67
SCHEMBL8637059 0.67
SCHEMBL17151270 0.67

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