SCHEMBL7974634

SCHEMBL7974634

C=C(C)C(=O)OC.C=C(C=CC(=O)O)C(=O)OCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
HCAR2 Q8TDS4 4/20 0.54
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.36
FAAH O00519 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11359332 1.00 TSHR (0.60) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL459919 0.94 HCAR2 (0.51) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL11659779 0.94 TSHR (0.57) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL11660144 0.93 TSHR (0.56) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL3920654 0.92 TSHR (0.69) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL8472159 0.91 TSHR (0.50) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL2133445 0.90 HCAR2 (0.65) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL8029458 0.90 HCAR2 (0.65) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL10939210 0.90 HCAR2 (0.65) TSHRHCAR2ALDH1A1KDM4ELMNA
SCHEMBL8639870 0.90 HCAR2 (0.65) TSHRHCAR2ALDH1A1KDM4ELMNA

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-6184268-B1 MIXING SOLVENT, COLORANT AND LATEX, WHICH IS GENERATED FROM POLYMERIZATION OF MIXTURE OF ANIONIC SURFACTANT, NONIONIC SURFACTANT, AND MIXTURE OF OLEFINIC MONOMERS, FOLLOWED BY ADDITION OF ORGANIC SOLVENT TO PRODUCE INK JET INK XEROX CORPORATION 2001-02-06 US claimed
US-6184268-B1 MIXING SOLVENT, COLORANT AND LATEX, WHICH IS GENERATED FROM POLYMERIZATION OF MIXTURE OF ANIONIC SURFACTANT, NONIONIC SURFACTANT, AND MIXTURE OF OLEFINIC MONOMERS, FOLLOWED BY ADDITION OF ORGANIC SOLVENT TO PRODUCE INK JET INK XEROX CORPORATION 2001-02-06 US disclosed