SCHEMBL8172124

SCHEMBL8172124

C=C(C)C(=O)OCCN(CC)CC.C=CC=CCC(=C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 1/20 0.31
HTR3A P46098 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP3A4 P08684 1/20 0.30
PRCP P42785 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8178811 0.88 ALDH1A1 (0.35) THRBTSHRALDH1A1
SCHEMBL8182773 0.84 TSHR (0.34) THRBTSHRALDH1A1
SCHEMBL347875 0.81 ALDH1A1 (0.52) THRBTSHRALDH1A1
SCHEMBL148783 0.81 ALDH1A1 (0.52) THRBTSHRALDH1A1SMN1; SMN2MEN1
Acrylic Acid Ethyl Ester SCHEMBL30960549 0.79 THRB (0.42) THRBTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL27000 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28273630 0.78 THRB (0.55) THRBTSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL14874 0.78 THRB (0.55) THRBTSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL8172309 0.78 ALDH1A1 (0.33) THRBTSHRALDH1A1
SCHEMBL22684899 0.77 THRB (0.53) THRBTSHRALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051354-A MIXING IN A HIGH SHEAR DEVICE A CARRIER CORE AND A CARRIER COATING, AND WHEREIN SAID HIGH SHEAR DEVICE CONTAINS IMPELLERS. XEROX CORPORATION (US) 2000-04-18 US disclosed
US-5945244-A Coated carrier XEROX CORPORATION (US) 1999-08-31 US disclosed