SCHEMBL7777104

SCHEMBL7777104

CCCCCCCC/C=C\CCCCCCCC[N+](N)(N)CCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.52
TRPV1 Q8NER1 1/20 0.52
SOAT1 P35610 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC22A1 O15245 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TERT O14746 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL962399 0.96 FAAH (0.48) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL8419983 0.85 SLC22A1 (0.61) TP53CYP3A4SLC22A1ALOX15HSD17B10
SCHEMBL9679851 0.83 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4SLC22A1
SCHEMBL9679829 0.83 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4SLC22A1
SCHEMBL6912031 0.83 FAAH (0.48) FAAHTRPV1SOAT1CYP1A2CYP2C19
Bromide SCHEMBL29165781 0.81 ALDH1A1 (0.70) FAAHTRPV1TP53CYP3A4SLC22A1
SCHEMBL18525110 0.81 SLC22A1 (0.65) FAAHTRPV1TP53CYP3A4SLC22A1
SCHEMBL25362976 0.80 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL23040321 0.80 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL21698564 0.80 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19

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
EP-0801672-B1 CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS COLGATE PALMOLIVE CO (US) 2001-10-04 EP claimed