SCHEMBL5536618

SCHEMBL5536618

CC(C)C1=C(O)C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDC25B P30305 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
COPS5 Q92905 1/20 0.33
AURKB Q96GD4 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TYR P14679 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3723919 0.81 ERBB2 (0.36) CDC25BERBB2
SCHEMBL21871795 0.80 AURKA (0.33) AURKACYP1A1CYP1A2CDC25BTXNRD1
SCHEMBL28371005 0.72 EEF2K (0.34) ERBB2
SCHEMBL594152 0.71 CDC25B (0.47) AURKACYP1A1CYP1A2CDC25BTXNRD1
SCHEMBL5158181 0.70 XIAP (0.48) MEN1USP2ALDH1A1TP53CYP3A4
SCHEMBL28363103 0.69 MAPT (0.42) CYP1A1CYP1A2CDC25BTXNRD1MEN1
SCHEMBL28498261 0.68 CDC25B (0.45) AURKACYP1A1CYP1A2CDC25BTXNRD1
SCHEMBL11664840 0.66
SCHEMBL2687051 0.65 AURKA (0.38) AURKACYP1A1CYP1A2CDC25BTXNRD1
SCHEMBL22644817 0.63 KDM4E (0.35) CDC25BTYRMEN1ALDH1A1LMNA

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
US-20150175767-A1 BIOBASED IMPREGNATING COMPOSITION AND PRODUCTS COMPRISING SAME AFI LICENSING LLC 2015-06-25 US disclosed
EP-2886275-A2 Biobased impregnating composition and products comprising same Armstrong World Industries, Inc. (US) 2015-06-24 EP disclosed
US-7244418-B2 Antimicrobial artificial nail composition and methods for preparing and using same WOODWARD LABORATORIES, INC. (US) 2007-07-17 US disclosed
US-6479039-B1 Antimicrobial artificial nail composition and methods for preparing and using same WOODWARD LABORATORIES, INC. 2002-11-12 US disclosed
WO-2001003656-A1 ANTIMICROBIAL ARTIFICIAL NAIL COMPOSITION AND METHODS FOR PREPARING AND USING SAME WOODWARD LABORATORIES, INC. (US) 2001-01-18 WO disclosed