SCHEMBL5555817

SCHEMBL5555817

CCC=C(C#N)C(=O)OOCCOCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 9/20 0.34
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 5/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
PTP4A1 Q93096 1/20 0.31
MIF P14174 1/20 0.31
MEN1 O00255 2/20 0.30
NPC1 O15118 2/20 0.30
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5555156 0.89 CYP2C9 (0.33) CYP2C9
SCHEMBL5555215 0.87 TSHR (0.33) CYP2C9TSHRTHRBKMT2AMAPT
SCHEMBL5561659 0.86 CYP2C9 (0.35) CYP2C9ALDH1A1KMT2APOLBLMNA
SCHEMBL5560240 0.85 ZDHHC20 (0.38) CYP2C9TSHRTHRBKMT2APOLB
SCHEMBL29372513 0.85 CYP2C9 (0.37) CYP2C9ALDH1A1TSHRKMT2APOLB
SCHEMBL668298 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1TSHRKMT2APOLB
SCHEMBL5555150 0.84 ZDHHC20 (0.40) CYP2C9ALDH1A1TSHRTHRBKMT2A
SCHEMBL28634345 0.84 THRB (0.47) CYP2C9ALDH1A1TSHRTHRBKMT2A
SCHEMBL15924890 0.81 CYP2C9 (0.34) CYP2C9ALDH1A1TSHRKMT2APOLB
SCHEMBL7150495 0.80 TP53 (0.34) CYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US claimed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US claimed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP claimed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO claimed
US-20220033544-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2022-02-03 US disclosed
EP-2999689-B1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-10-04 EP disclosed
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US disclosed
US-9528034-B2 Cyanoacrylate compositions Henkel IP & Holding GmbH (DE) 2016-12-27 US disclosed
US-20160017189-A1 CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2016-01-21 US disclosed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US disclosed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP disclosed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US disclosed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP disclosed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO disclosed