SCHEMBL7535904

SCHEMBL7535904

C=C(C(=O)OCCN)C(CC)CC.C=C(C)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
HTR2C P28335 1/20 0.41
THRB P10828 2/20 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
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
CES2 O00748 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.34
AKR1C4 P17516 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
SCHEMBL7527910 0.88 TSHR (0.49) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL7527694 0.88 TSHR (0.67) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL11139716 0.87 TSHR (0.62) TSHRHTR2CNAAARAD52NPSR1
SCHEMBL29117856 0.87 TSHR (0.62) TSHRHTR2CNAAARAD52NPSR1
Methacrylic Acid SCHEMBL7055633 0.84 TSHR (0.61) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL19207245 0.84 TSHR (0.46) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL19207301 0.84 TSHR (0.46) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL19207247 0.84 TSHR (0.46) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL5052486 0.84 TSHR (0.46) TSHRHTR2CTHRBPOLBAPEX1
SCHEMBL11762987 0.84 TSHR (0.46) TSHRHTR2CTHRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058729-A1 Electrostatic ink jet ink and method of controlling electrostatic charges of color material in the ink MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-05-16 US disclosed