SCHEMBL4456785

SCHEMBL4456785

C=Cc1ccc(CC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL9680264 0.83 ALDH1A1 (0.50) CA2ALDH1A1TDP1LMNA
SCHEMBL28691787 0.82 ALDH1A1 (0.41) CA2ALDH1A1TDP1LMNA
SCHEMBL11290860 0.82 CA2 (0.80) CA2ALDH1A1
SCHEMBL598224 0.81 CA2 (0.56) CA2ALDH1A1TDP1LMNA
SCHEMBL414655 0.81 CA2 (0.59) CA2ALDH1A1
Urea SCHEMBL7262146 0.79 ALDH1A1 (0.65) ALDH1A1TDP1LMNA
SCHEMBL10591543 0.79 POLB (0.47) CA2ALDH1A1TDP1LMNA
SCHEMBL29109718 0.79 ALDH1A1 (0.46) CA2ALDH1A1TDP1LMNA
SCHEMBL3625705 0.79 ALDH1A1 (0.46) CA2ALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL3625706 0.79 CA2 (0.54) CA2ALDH1A1TDP1LMNA

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-7521506-B2 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2009-04-21 US disclosed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed
US-20060128859-A1 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-06-15 US disclosed
US-6017681-A EDGE JOINING OPTICAL PARTS BY APPLYING PHOTOSENSITIVE ADHESIVE TO SEPARATE EDGES AND IRRADIATING TO FORM WAVEGUIDES, THEN MATING EDGES AND HEATING TO MELT AND FUSE WAVEGUIDE MATERIAL FUJITSU LIMITED (JP) 2000-01-25 US disclosed
US-5902715-A FORMING A MIRROR-FINISHED SURFACE AT A BOUNDARY BETWEEN A AN IRRADIATED AND A NON-IRRADIATED WAVEGUIDE BY OBLIQUELY IRRADIATING THE WAVEGUIDE; REFRACTIVE INDEX MAY BE INCREASED BY HEATING IRRADIATED PORTION, OR WITH A CATALYZER FUJITSU LIMITED (JP) 1999-05-11 US disclosed