SCHEMBL717725

SCHEMBL717725

CCCCC(=C(C#N)C(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
ESR1 P03372 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL27509228 0.88 PTGS2 (0.47) PTGS2ALDH1A1LMNAMAPK1CES2
SCHEMBL1245559 0.86 ELANE (0.44) PTGS2ALDH1A1LMNAMAPK1ESR1
SCHEMBL27832896 0.83 PTGS2 (0.56) PTGS2ALDH1A1LMNAMAPK1CES2
SCHEMBL4088858 0.82 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL19183550 0.81 PTGS2 (0.41) PTGS2ALDH1A1LMNAMAPK1CES2
SCHEMBL27970718 0.81 PTGS2 (0.53) PTGS2CES2CES1ESR1
SCHEMBL27509227 0.80 ZDHHC2 (0.43) PTGS2ALDH1A1LMNAMAPK1CES2
SCHEMBL2368522 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1CES2CES1
SCHEMBL2368525 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1CES2CES1
SCHEMBL21436863 0.77 PTGS2 (0.46) PTGS2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120050432-A1 INK JET RECORDING MEDIUM AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-01 US disclosed
US-20110212278-A1 INK JET RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-09-01 US disclosed
US-20110206871-A1 INK JET RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 US disclosed
US-6635320-B2 High glossiness of the recording surface and is free from the bleeding of an image with time even under high temperature and humidity; polymer with a quaternary ammonium base in the molecule, soluble in water and/or an organic solvent. FUJI PHOTO FILM CO., LTD. (JP) 2003-10-21 US disclosed
US-20020064633-A1 Ink jet recording sheet FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed