SCHEMBL7969239

SCHEMBL7969239

C=C(C)C(=O)Oc1ccccc1.C=CC(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
HPGD P15428 1/20 0.56
THRB P10828 4/20 0.52
ELANE P08246 1/20 0.51
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
THRA P10827 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
FAAH O00519 6/20 0.41
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL13372762 0.89 TSHR (0.67) TSHRHPGDTHRBTDP1THRA
Carbamic Acid Phenyl Ester SCHEMBL3948410 0.84 TSHR (0.59) TSHRHPGDTHRBTDP1THRA
Acrylic Acid Ethyl Ester SCHEMBL6545321 0.84 ELANE (0.50) HPGDTHRBELANETDP1THRA
SCHEMBL10626296 0.84 TSHR (0.58) TSHRHPGDTHRBPOLBTHRA
SCHEMBL6055681 0.84 TSHR (0.58) TSHRHPGDTHRBPOLBTHRA
SCHEMBL8634226 0.84 TSHR (0.58) TSHRHPGDTHRBPOLBTHRA
Acrylic Acid Ethyl Ester SCHEMBL28066564 0.84 TSHR (0.45) TSHRHPGDTHRBTDP1POLB
Styrene SCHEMBL6283469 0.84 TSHR (0.55) TSHRHPGDTHRBTDP1POLB
SCHEMBL7852013 0.84 TSHR (0.55) TSHRHPGDTHRBTDP1POLB
SCHEMBL11336888 0.83 ELANE (0.61) THRBELANETDP1THRAL3MBTL1

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