SCHEMBL8628405

SCHEMBL8628405

CCCCCCCC/C=C\CCCCCCCC(N)(OCCCCCO)OCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
LPAR1 Q92633 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.41
SMPD1 P17405 2/20 0.41
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7228904 1.00 CNR2 (0.43) CNR2TRPV1LPAR2LPAR3LPAR1
SCHEMBL7238654 0.91 LMNA (0.48) ALDH1A1SMPD1MEN1KMT2A
SCHEMBL7235754 0.83 LPAR3 (0.42) CNR2LPAR2LPAR3LPAR1ALDH1A1
SCHEMBL8624539 0.81 SOAT1 (0.41) LPAR2LPAR3LPAR1ALDH1A1SMPD1
SCHEMBL2227495 0.80 LMNA (0.48) ALDH1A1MEN1FAAHTP53CYP1A2
SCHEMBL27094088 0.80 LPAR3 (0.46) TRPV1LPAR2LPAR3LPAR1MEN1
SCHEMBL2069004 0.80 LMNA (0.48) ALDH1A1MEN1FAAHTP53CYP1A2
SCHEMBL28066774 0.80 SMPD1 (0.50) ALDH1A1SMPD1MEN1KMT2A
SCHEMBL28066724 0.80 SMPD1 (0.50) ALDH1A1SMPD1MEN1KMT2A
SCHEMBL9682320 0.80 SMPD1 (0.50) ALDH1A1SMPD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276501-B2 Thickening compositions and thickened aqueous acid solutions AKZO NOBEL NV (NL) 1998-06-17 EP claimed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP claimed
EP-0276501-B2 Thickening compositions and thickened aqueous acid solutions AKZO NOBEL NV (NL) 1998-06-17 EP disclosed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP disclosed