SCHEMBL9064516

SCHEMBL9064516

C=CCc1ccccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL7914371 0.86 KDM4E (0.44) ALDH1A1MAPTPOLBL3MBTL1HPGD
SCHEMBL9789600 0.85 MAPT (0.58) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL10940633 0.84 ALDH1A1 (0.56) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL30026550 0.84 ALDH1A1 (0.56) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL12900197 0.84 TGM2 (0.50) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL15397564 0.84 MAPT (0.44) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL10692302 0.83 ALDH1A1 (0.47) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL10612988 0.82 GABRA1 (0.42) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL4207495 0.81 HDAC3 (0.48) ALDH1A1MAPTPOLBLMNAHPGD
Acrylic Acid SCHEMBL3955124 0.81 MAPT (0.52) ALDH1A1MAPTPOLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459530-B1 Alkyl-substituted phenylcarbamate derivative of polysaccharide DAICEL CHEM (JP) 1996-01-03 EP claimed
EP-0281951-B1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEM (JP) 1994-06-15 EP claimed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-3250622-B1 POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES WITH LOW BY-PRODUCTS BASF SE (DE) 2018-11-07 EP disclosed
EP-3250622-A1 LOW-BY-PRODUCT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2017-12-06 EP disclosed
WO-2016120167-A1 LOW-BY-PRODUCT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2016-08-04 WO disclosed
EP-0281951-B1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEM (JP) 1994-06-15 EP disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0013307-B1 LIQUID FOLIAR FERTILIZER COMPOSITIONS CONTAINING WATER-SOLUBLE UREA-FORMALDEHYDE PRODUCTS ALLIED CORPORATION (US) 1984-09-05 EP disclosed
US-4369141-A Process to improve isocyanate yield upon pyrolysis of a polyfunctional urethane which has been extracted with a combination of hydrochloric acid and alcohol ATLANTIC RICHFIELD COMPANY (US) 1983-01-18 US disclosed
US-4292254-A COSOLVENT, SOLVENT EXTRACTION, AQUEOUS ACID ATLANTIC RICHFIELD COMPANY (US) 1981-09-29 US disclosed
US-4290968-A REMOVAL OF AMINE BY-PRODUCTS WITH ION EXCHANGE RESINS ATLANTIC RICHFIELD COMPANY (US) 1981-09-22 US disclosed
EP-0013307-A1 Liquid foliar fertilizer compositions containing water-soluble urea-formaldehyde products ALLIED CORPORATION (US) 1980-07-23 EP disclosed
US-4172948-A REARRANGEMENT IN PRESENCE OF HYDROGEN CHLORIDE CATALYST ATLANTIC RICHFIELD COMPANY (US) 1979-10-30 US disclosed
US-4146727-A ACID CATALYSTS ATLANTIC RICHFIELD COMPANY (US) 1979-03-27 US disclosed
US-4035173-A CONIFERS, PINACEAE UREA, AMMONIA, AMMONIUM SULFATES, NITRATES OF AMMONIA, CALCIUM AND POTASSIUM UNION OIL COMPANY OF CALIFORNIA (US) 1977-07-12 US disclosed
US-4033747-A CONIFERS UNION OIL COMPANY OF CALIFORNIA (US) 1977-07-05 US disclosed