SCHEMBL7776369

SCHEMBL7776369

CCCCCCO/C(C)=C(\C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 3/20 0.52
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTR2C P28335 1/20 0.46
CES2 O00748 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 3/20 0.43

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
SCHEMBL9353868 1.00 NAAA (0.52) NAAATSHREPHX1ALDH1A1HTR2C
SCHEMBL9353687 1.00 NAAA (0.52) NAAATSHREPHX1ALDH1A1HTR2C
SCHEMBL4051381 0.98 TSHR (0.48) NAAATSHREPHX1ALDH1A1HTR2C
SCHEMBL7762738 0.92 ALDH1A1 (0.56) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL454526 0.92 ALDH1A1 (0.56) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL7697460 0.84 ALDH1A1 (0.38) TSHRALDH1A1HCAR2LMNA
SCHEMBL5070827 0.84 ALDH1A1 (0.38) TSHRALDH1A1HCAR2LMNA
SCHEMBL1684988 0.82 NAAA (0.53) NAAATSHREPHX1ALDH1A1CES2
SCHEMBL1898273 0.81 NAAA (0.53) NAAATSHREPHX1ALDH1A1HTR2C
SCHEMBL1898277 0.81 NAAA (0.53) NAAATSHREPHX1ALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755803-B1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES (JP) 2001-07-25 EP disclosed
US-6093509-A NON-IMAGE AREA COMPRISE A HYDROPHILIC SWELLABLE LAYER WITH SPEACIFIC WATER ABSORBABILITY, MODULUS AND WATER SWELLING RATIO TORAY INDUSTRIES, INC. (JP) 2000-07-25 US disclosed
EP-0755803-A1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES, INC. (JP) 1997-01-29 EP disclosed