SCHEMBL8939172

SCHEMBL8939172

CCCCC/C=C\C/C=C\CCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
SOAT1 P35610 1/20 0.42
CNR1 P21554 5/20 0.40
FAAH O00519 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
CNR2 P34972 2/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN7 P35236 1/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
FABP3 P05413 1/20 0.39
CYP3A4 P08684 1/20 0.39
F7 P08709 1/20 0.39
CYP19A1 P11511 1/20 0.39
F3 P13726 1/20 0.39
FABP4 P15090 1/20 0.39

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
SCHEMBL8924940 0.83 PDE4A (0.43) KDM4EMAPTDUSP3LMNACYP3A4
SCHEMBL8770831 0.80 PDE4A (0.36) KDM4ECNR1FAAHMAPTTRPV1
SCHEMBL7749705 0.73 CA12 (0.40) KDM4EMAPTDUSP3FFAR1LMNA
Linoleic Acid SCHEMBL11132779 0.73 PPARG (0.74) KDM4EFAAHALDH1A1MAPTHPGD
Linoleic Acid SCHEMBL28803870 0.73 PPARG (0.74) KDM4EFAAHALDH1A1MAPTHPGD
Gluconic Acid SCHEMBL31349898 0.73 SLC6A5 (0.46) KDM4EALDH1A1
SCHEMBL16107231 0.72 KDM4E (0.59) KDM4ESOAT1CNR1ALDH1A1CNR2
SCHEMBL16107229 0.72 KDM4E (0.59) KDM4ESOAT1CNR1ALDH1A1CNR2
SCHEMBL2422782 0.72 CA12 (0.41) FFAR1
SCHEMBL5687010 0.72 DGKA (0.51) SOAT1FAAHMAPTDUSP3PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed