SCHEMBL4344873

SCHEMBL4344873

CCCCC=C(C(=O)Br)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.45
CES1 P23141 5/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAAA Q02083 1/20 0.41
TBXAS1 P24557 1/20 0.39
LMNA P02545 1/20 0.39
PTGS2 P35354 1/20 0.39
GRIK1 P39086 1/20 0.37
EP300 Q09472 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8157814 0.86 CES2 (0.47) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL524133 0.86 CES2 (0.47) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL6973235 0.85 CYP1A2 (0.47) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL3864054 0.83 CES2 (0.45) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL597783 0.81 EP300 (0.50) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL597781 0.81 EP300 (0.50) CES2CES1ALDH1A1CYP1A2CYP3A4
SCHEMBL4622616 0.80 EP300 (0.53) CES2CES1NAAATBXAS1EP300
SCHEMBL5467265 0.80 EP300 (0.53) CES2CES1NAAATBXAS1EP300
SCHEMBL6258126 0.80 EP300 (0.53) CES2CES1NAAATBXAS1EP300
SCHEMBL6666634 0.80 EP300 (0.53) CES2CES1NAAATBXAS1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611752-B2 Method of making a microstructured coated article 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-11-03 US disclosed
US-20080187678-A1 MICROSTRUCTURED SUBSTRATES WITH PROFILE-PRESERVING ORGANOMETALLIC COATINGS 3M INNOVATIVE PROPERTIES COMPANY 2008-08-07 US disclosed
US-7288309-B2 Microstructured substrates with profile-preserving organometallic coatings 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-30 US disclosed
US-20050089673-A1 Microstructured substrates with profile-preserving organometallic coatings 3M INNOVATIVE PROPERTIES COMPANY 2005-04-28 US disclosed
US-6815043-B2 FORMED VIA MONOMER VAPOR DEPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2004-11-09 US disclosed
US-20030068436-A1 Method of coating microstructured substrates with polymeric layer(s), allowing preservation of surface feature profile 3M INNOVATIVE PROPERTIES COMPANY 2003-04-10 US disclosed
EP-1159087-B1 METHOD OF COATING MICROSTRUCTURED SUBSTRATES WITH POLYMERIC LAYER(S), ALLOWING PRESERVATION OF SURFACE FEATURE PROFILE 3M INNOVATIVE PROPERTIES CO (US) 2003-04-09 EP disclosed
US-6503564-B1 Method of coating microstructured substrates with polymeric layer(s), allowing preservation of surface feature profile 3M INNOVATIVE PROPERTIES COMPANY 2003-01-07 US disclosed
EP-1159087-A1 METHOD OF COATING MICROSTRUCTURED SUBSTRATES WITH POLYMERIC LAYER(S), ALLOWING PRESERVATION OF SURFACE FEATURE PROFILE 3M Innovative Properties Company (US) 2001-12-05 EP disclosed
WO-2000050179-A1 METHOD OF COATING MICROSTRUCTURED SUBSTRATES WITH POLYMERIC LAYER(S), ALLOWING PRESERVATION OF SURFACE FEATURE PROFILE 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-31 WO disclosed