SCHEMBL5570012

SCHEMBL5570012

CC(CO)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.37
TRPA1 O75762 3/20 0.35
ACHE P22303 1/20 0.35
USP5 P45974 1/20 0.35
MLYCD O95822 5/20 0.35
ACE2 Q9BYF1 2/20 0.35
GRIA4 P48058 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL28516564 0.87 ABCB11 (0.38) ABCB11TRPA1ACHEUSP5MLYCD
SCHEMBL10050671 0.86 ALDH1A1 (0.46) CYP2C9
SCHEMBL11931417 0.82 TSHR (0.37) MLYCD
SCHEMBL54909 0.81 CYP2C9 (0.50) USP5CYP2D6CYP2C9HIF1APOLB
SCHEMBL4197514 0.81 ESR1 (0.43) USP5MLYCDCYP2D6CYP2C9HIF1A
SCHEMBL8516775 0.80 MLYCD (0.42) MLYCDCYP2C9POLB
SCHEMBL537689 0.79 PTPN5 (0.38) USP5MLYCDCYP2D6CYP2C9HIF1A
SCHEMBL4941665 0.79 ESR1 (0.40) USP5MLYCDCYP2C9POLB
SCHEMBL4417603 0.79 MLYCD (0.35) USP5MLYCDNR1H4
SCHEMBL10778919 0.79 STAT3 (0.38) ACHEUSP5MLYCDGRIA4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7887176-B2 High image quality in inkjet printing onto flexible packaging substrates of polyester, polypropylene, and aluminum foil, can be significantly improved by the use of radiation curable gel based phase change inks; not requiring pinning of the ink during color printing or nitrogen inerting during curing XEROX CORPORATION (US) 2011-02-15 US disclosed
US-7625956-B2 Phase change inks containing photoinitiator with phase change properties and gellant affinity XEROX CORPORATION (US) 2009-12-01 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed