SCHEMBL9468205

SCHEMBL9468205

CCCCCCCC/C=C\CCCCCCCCC1CNC(N)=N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.42
NOS1 P29475 5/20 0.36
NOS2 P35228 5/20 0.36
FAAH O00519 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT1 P35610 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 2/20 0.36

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
SCHEMBL8112507 0.89 SCN2A (0.46) SCN2ANOS1NOS2NOS3
SCHEMBL10337038 0.79 FAAH (0.36) NOS1NOS2FAAHTRPV1MEN1
SCHEMBL217509 0.79 EPHX2 (0.35) TRPV1CYP1A2CYP2C19
SCHEMBL8031341 0.79 MMP2 (0.36) TRPV1CYP1A2CYP2C19
SCHEMBL3450323 0.77 EPHX2 (0.36) FAAHTRPV1MEN1TP53CYP1A2
Sulfuric Acid SCHEMBL10539699 0.77 EPHX2 (0.41)
SCHEMBL5711650 0.77 PPARG (0.44) FAAHCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11038775 0.76 FAAH (0.33) FAAHTRPV1MEN1TP53CYP1A2
SCHEMBL5632259 0.76 ABCG2 (0.37) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4367308 0.74 NOS1 (0.39) SCN2ANOS1NOS2NOS3

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-5269958-A Dimethyl ether, cosolvent, and particulate absorbent S. C. JOHNSON & SON, INC. (US) 1993-12-14 US disclosed