SCHEMBL5398237

SCHEMBL5398237

CC(=O)CC(=O)c1cccc(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PIK3CA P42336 1/20 0.45
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 5/20 0.42
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CFTR P13569 1/20 0.42
HPGD P15428 5/20 0.40
MMP2 P08253 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
CDC25B P30305 2/20 0.38

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
SCHEMBL10966054 0.83 ALDH1A1 (0.55) CYP3A4TSHRALDH1A1HSD17B10KDM4E
SCHEMBL11599056 0.81 ERCC5 (0.49) CYP3A4TSHRALDH1A1HSD17B10KDM4E
SCHEMBL11409639 0.81 ALDH1A1 (0.49) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL27683399 0.80 TSHR (0.46) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL836606 0.79 CYP3A4 (0.54) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL11576672 0.79 CD44 (0.41) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL27608737 0.79 ERCC5 (0.46) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL7476851 0.79 HSD17B10 (0.46) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL10597577 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ENPC1RAB9A
Formic Acid SCHEMBL28840569 0.77 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631497-A4 LINERLESS LABELS APPLETON PAPER INC (US) 2007-10-17 EP claimed
JP-2007505774-A 2007-03-15 JP claimed
EP-1631497-A2 LINERLESS LABELS Appleton Papers Inc. (US) 2006-03-08 EP claimed
WO-2004106168-A2 LINERLESS LABELS APPLETON PAPERS INC. (US) 2004-12-09 WO claimed
US-5352281-A Containing nonionic surfactant with specified cloud point HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-04 US claimed
CN-109688835-A The providing method of food packaging film, film packaging container and food 日立化成株式会社 2019-04-26 CN disclosed
CN-106715138-A Linerless record material 普恩公司 2017-05-24 CN disclosed
CN-103781976-B Adapter for removing mucus in drain pipe of washing machine or wash basin NIPPON SODA CO.,LTD. (JP) 2015-08-12 CN disclosed
CN-104541210-A Developer for thermally responsive recording materials VALSPAR SOURCING INC 2015-04-22 CN disclosed
CN-103781976-A Adapter for removing mucus in drain pipe of washing machine or wash basin NIPPON SODA CO 2014-05-07 CN disclosed
US-5489672-A COUPLING-REACTING A SOLUTION OF TETRAZONIUM SALT OF BENZIDINE WITH A SLURRY OF ACETOACETANILIDE; ADDING HALOGEN TO SLURRY TOYO INK MANUFACTURING CO., LTD. (JP) 1996-02-06 US disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed