SCHEMBL5084643

SCHEMBL5084643

N#[N+]c1ccccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PTPN1 P18031 2/20 0.33
APOBEC3G Q9HC16 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
HSPA5 P11021 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
SCHEMBL17718234 0.82 APOBEC3G (0.43) FFAR1CYP4F2CYP4A11APOBEC3GHSPA5
SCHEMBL1583827 0.78 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL2232772 0.78 TAAR1 (0.50) TAAR1
SCHEMBL31203 0.75 TDP1 (0.55) TDP1FFAR1CYP4F2CYP4A11PTPN1
SCHEMBL29534868 0.75 TDP1 (0.55) TDP1FFAR1CYP4F2CYP4A11PTPN1
SCHEMBL6409297 0.74 LIPG (0.50)
Phosphoric Acid SCHEMBL27871469 0.74 TSHR (0.35) CYP4F2CYP4A11
SCHEMBL5570756 0.73 PNMT (0.44) TAAR1
SCHEMBL13824617 0.73 MGLL (0.47) CYP4F2CYP4A11
SCHEMBL27890793 0.73 ALDH1A1 (0.38)

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
WO-2008090555-A2 MEDICAL DEVICES HAVING A MATRIX ADHERED THEREOF ELUTEX LTD. (IL) 2008-07-31 WO disclosed