SCHEMBL2148573

SCHEMBL2148573

C=C(C)C(=O)OCCCC.C=CC(=O)NC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
HPGD P15428 1/20 0.46
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACACB O00763 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL30094953 0.99 TSHR (0.54) TSHRHPGDTHRBALDH1A1MEN1
SCHEMBL10477338 0.94 TSHR (0.65) TSHRHPGDTHRBALDH1A1MEN1
SCHEMBL28813009 0.85 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22686669 0.84 THRB (0.64) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL2098855 0.84 TSHR (0.69) TSHRHPGDTHRBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21933407 0.83 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20723256 0.82 TSHR (0.50) TSHRTHRBALDH1A1MAPK1TDP1
SCHEMBL2341069 0.81 TSHR (0.70) TSHRHPGDTHRBALDH1A1POLB
SCHEMBL28577918 0.81 TSHR (0.57) TSHRHPGDTHRBALDH1A1MAPK1
Butadiene SCHEMBL28300923 0.81 TSHR (0.60) TSHRHPGDTHRBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452435-B1 HIGHLY EFFECTIVE AND MULTIFUNCTIONAL MICROBIAL COMPOSITIONS AND USES ADVANCED BIOLOGICAL MARKETING INC (US) 2026-03-25 EP disclosed
US-12030824-B2 Highly effective and multifunctional microbial compositions and uses AGRAUXINE CORP. (US) 2024-07-09 US disclosed
CN-109666159-A A kind of method of energy-absorbing and application thereof 翁秋梅 2019-04-23 CN disclosed
US-8790926-B2 Tissue engineering supports and methods therefor EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-07-29 US disclosed
US-20120208276-A1 TISSUE ENGINEERING SUPPORTS AND METHODS THEREFOR CRESTLINE DIRECT FINANCE, L.P. 2012-08-16 US disclosed
US-20110165211-A1 CARBON DIOXIDE EXTERNAL PREPARATION, AND MATERIAL FOR FORMATION OF CARBON DIOXIDE EXTERNAL PREPARATION TANAKA MASAYA 2011-07-07 US disclosed
EP-1541155-B1 Material for formation of carbon dioxide external preparation NEOCHEMIR INC (JP) 2010-05-26 EP disclosed
CN-100508988-C Carbon dioxide external preparation and material for preparing carbon dioxide external preparation NEOCHEMIR INC (JP) 2009-07-08 CN disclosed
US-20060165607-A1 Carbon dioxide external preparation and material for formation of carbon dioxide external preparation NEOCHEMIR INC. (JP) 2006-07-27 US disclosed
CN-1665519-A Carbon dioxide external preparation and material for preparing carbon dioxide external preparation NEOCHEMIR INC (JP) 2005-09-07 CN disclosed
EP-1541155-A1 CARBON DIOXIDE EXTERNAL PREPARATION AND MATERIAL FOR FORMATION OF CARBON DIOXIDE EXTERNAL PREPARATION Neochemir Inc. (JP) 2005-06-15 EP disclosed