SCHEMBL377458

SCHEMBL377458

C=Cc1ccccc1C=C.CCOC(=O)CCCCC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TOP2A P11388 1/20 0.48
TNF P01375 2/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TBXAS1 P24557 1/20 0.46
NAMPT P43490 1/20 0.46
ALOX5 P09917 1/20 0.46
NR1I2 O75469 1/20 0.45
PGR P06401 1/20 0.45

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
Styrene SCHEMBL9306286 0.81 TSHR (0.54) CYP4F2CYP4A11ALDH1A1CYP3A4ALOX15
Naphthalene SCHEMBL28059486 0.80 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
Urethane SCHEMBL28350198 0.79 ALOX15 (0.54) ALDH1A1CYP1A2SMN1; SMN2CYP2D6CYP2C9
Acrylic Acid Ethyl Ester SCHEMBL10887714 0.79 THRB (0.47) ALDH1A1CYP1A2SMN1; SMN2CYP2C19TSHR
Toluene SCHEMBL28096369 0.79 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
SCHEMBL7619608 0.78 TSHR (0.50) TSHRTDP1
SCHEMBL10614676 0.78 TSHR (0.50) CYP4F2CYP4A11TSHR
Phenol SCHEMBL28253517 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
Benzene SCHEMBL28276050 0.78 CYP1A2 (0.64) CYP4F2CYP4A11ALDH1A1CYP3A4CYP1A2
SCHEMBL10745866 0.77 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1SMN1; SMN2USP2

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
EP-1963454-B1 PROTECTIVE FILMS AND PRESSURE SENSITIVE ADHESIVES KRATON POLYMERS RES BV (NL) 2012-01-25 EP disclosed
US-7645507-B2 Protective films and pressure sensitive adhesives KRATON POLYMERS U.S. LLC (US) 2010-01-12 US disclosed
EP-1963454-A2 PROTECTIVE FILMS AND PRESSURE SENSITIVE ADHESIVES Kraton Polymers Research B.V. (NL) 2008-09-03 EP disclosed
WO-2007050654-A2 PROTECTIVE FILMS AND PRESSURE SENSITIVE ADHESIVES KRATON POLYMERS RESEARCH B.V. (NL) 2007-05-03 WO disclosed
US-20070092722-A1 Protective films and pressure sensitive adhesives KRATON POLYMERS U.S. LLC (US) 2007-04-26 US disclosed