SCHEMBL1251002

SCHEMBL1251002

CCN(CC)CC(C)N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 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
SCHEMBL3676295 0.86 MAPT (0.33) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL11511611 0.83 CYP1A2 (0.32) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL1251000 0.82 CYP1A2 (0.36) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL2167588 0.78 PLA2G1B (0.33) PLA2G1BPLA2G2A
SCHEMBL2845490 0.77 SIGMAR1 (0.35) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL17240714 0.77 LMNA (0.37) HSD17B10PLA2G1BPLA2G2AALDH1A1
SCHEMBL11837765 0.77 LMNA (0.37) HSD17B10PLA2G1BPLA2G2AALDH1A1
SCHEMBL1250788 0.76 MAPT (0.46) MAPTALDH1A1
SCHEMBL79152 0.75 MAPT (0.36) MAPTALDH1A1ALDH2
SCHEMBL11493585 0.75 ALDH1A1 (0.31) CYP1A2CYP2C9ALDH1A1

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