SCHEMBL5530700

SCHEMBL5530700

C=C(CC)C(=O)OCCCCCC.C=C(O)C(=O)OCC.C=COC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
FAAH O00519 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL9250677 0.93 TSHR (0.47) TSHRNAAAHCAR2FAAHALDH1A1
SCHEMBL1245965 0.91 TSHR (0.57) TSHRNAAAHCAR2FAAHALDH1A1
Acrylic Acid SCHEMBL11282593 0.86 TSHR (0.49) TSHRNAAAHCAR2FAAHALDH1A1
SCHEMBL971536 0.84 TSHR (0.55) TSHRNAAAHCAR2ALDH1A1HPGD
SCHEMBL6048367 0.82 TSHR (0.57) TSHRNAAAHCAR2FAAHALDH1A1
SCHEMBL9249626 0.81 TSHR (0.46) TSHRNAAAHCAR2ALDH1A1HPGD
Vinyl Chloride SCHEMBL9467848 0.80 TSHR (0.45) TSHRNAAAHCAR2ALDH1A1HPGD
SCHEMBL7912871 0.80 FAAH (0.47) TSHRFAAHALDH1A1HPGDTDP1
SCHEMBL28149809 0.80 TSHR (0.75) TSHRNAAAHCAR2FAAHALDH1A1
SCHEMBL28471522 0.80 TSHR (0.75) TSHRNAAAHCAR2FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383149-B2 High enhancer-loading polyacrylate formulation for transdermal applications ALZA CORPORATION (US) 2013-02-26 US disclosed
US-20070098771-A1 High enhancer-loading polyacrylate formulation for transdermal applications ALZA CORPORATION 2007-05-03 US disclosed
US-5393529-A Sustained release LTS LOHMANN THERAPIE-SYSTEME GMBH & CO. KG (DE) 1995-02-28 US disclosed