SCHEMBL7527694

SCHEMBL7527694

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
THRB P10828 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
CES2 O00748 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
AKR1C4 P17516 1/20 0.35

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
Methacrylic Acid SCHEMBL7055633 0.96 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10448434 0.92 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6568101 0.89 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7535904 0.88 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29096240 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27646544 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1069127 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL29177464 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL13266339 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27626357 0.87 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1

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