SCHEMBL5499472

SCHEMBL5499472

N#Cc1cccc(CCC(=O)O)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.51
FFAR4 Q5NUL3 5/20 0.45
TSPO P30536 1/20 0.43
DRD3 P35462 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
AKR1B1 P15121 1/20 0.41
PARP1 P09874 1/20 0.41
KEAP1 Q14145 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
SCHEMBL30740885 0.84 FFAR1 (0.62) FFAR1FFAR4TSPODRD3PTGER1
SCHEMBL447652 0.84 FFAR1 (0.62) FFAR1FFAR4TSPODRD3PTGER1
Phenyl Propionic Acid SCHEMBL5407020 0.79 FFAR1 (0.68) FFAR1FFAR4AKR1B1KEAP1
SCHEMBL23081364 0.77 ALDH1A1 (0.36) FFAR1
SCHEMBL6894811 0.76 GRM2 (0.44) FFAR1
SCHEMBL28452232 0.75 AR (0.43)
SCHEMBL7906876 0.75 FFAR1 (0.56) FFAR1FFAR4TSPODRD3PTGER1
SCHEMBL11524213 0.74 GABRA1 (0.41)
SCHEMBL6958245 0.74 CA1 (0.37) FFAR1
SCHEMBL28215006 0.74 S1PR1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed
EP-0576622-B1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK CO (US) 1997-11-05 EP disclosed
WO-1992017821-A1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1992-10-15 WO disclosed
US-5141839-A LITHOGRAPHIC PRINTING PLATES HAVING A RADIATION-SENSITIVE LAYER COMPRISING A PHOTOCROSSLINKABLE POLYMER, A LEUCO DYE, A PHOTOOXIDANT AND A HETEROAROMATIC AMINE N-OXIDE EASTMAN KODAK COMPANY (US) 1992-08-25 US disclosed
US-5141842-A Negative working lithography printing plates EASTMAN KODAK COMPANY (US) 1992-08-25 US disclosed