SCHEMBL4884648

SCHEMBL4884648

C=Cc1ccc(C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.65
CES1 P23141 10/20 0.65
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
AKT1 P31749 1/20 0.50
RAB9A P51151 1/20 0.48
HDAC2 Q92769 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 1/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
Hydrochloric Acid SCHEMBL31298885 0.98 CES2 (0.62) CES2CES1ALDH1A1TSHRAKT1
Hydrochloric Acid SCHEMBL6544642 0.96 CES2 (0.60) CES2CES1ALDH1A1TSHRAKT1
Benzil SCHEMBL5013455 0.93 CES2 (0.64) CES2CES1ALDH1A1TSHRAKT1
SCHEMBL3753579 0.91 ALDH1A1 (0.58) CES2CES1ALDH1A1TSHR
Trimethylammonium SCHEMBL2473941 0.91 RAB9A (0.55) CES2CES1ALDH1A1TSHRAKT1
Ethylenediamine SCHEMBL28198105 0.91 CES2 (0.54) CES2CES1ALDH1A1TSHRAKT1
SCHEMBL17652925 0.90 CES2 (0.52) CES2CES1ALDH1A1TSHRRAB9A
SCHEMBL39787 0.87 ALDH1A1 (0.61) CES2CES1ALDH1A1TSHRAKT1
Benzoyl Formic Acid SCHEMBL27925282 0.85 ALDH1A1 (0.58) CES2CES1ALDH1A1TSHRAKT1
SCHEMBL14844429 0.84 CPT1B (0.54) CES2CES1ALDH1A1TSHRAKT1

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-20080057236-A1 Heat-Shrinkable Laminated Film, Molded Product and Heat-Shrinkable Label Employing the Film, and Container MITSUBISHI PLASTICS, INC. (JP) 2008-03-06 US disclosed
EP-1810822-A1 HEAT SHRINKABLE LAMINATED FILM, MOLDED ARTICLE USING SUCH FILM, AND HEAT SHRINKABLE LABEL AND CONTAINER MITSUBISHI PLASTICS INC. (JP) 2007-07-25 EP disclosed
EP-1666116-A1 Method and conditioning agent for treating waste water and dehydrating sludge Sony Corporation (JP) 2006-06-07 EP disclosed