SCHEMBL9079243

SCHEMBL9079243

C=C(C)C(=O)OC(CCCC)Cn1c(=O)n(CCCCCCO)c(=O)n(CC(CCCC)OC(=O)C(=C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP1A2 P05177 3/20 0.30
CYP2C19 P33261 3/20 0.30
GAA P10253 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9077737 0.97 TSHR (0.36) TSHRCYP1A2CYP2C19GAAPRKCD
SCHEMBL338693 0.88 SLC18A3 (0.30)
SCHEMBL9079359 0.84 TSHR (0.36) TSHRPRKCAPRKCD
SCHEMBL9078880 0.81 TSHR (0.33) TSHRCYP1A2CYP2C19GAAPRKCD
SCHEMBL10187198 0.78 TSHR (0.42) TSHRPRKCAPRKCDMEN1KMT2A
SCHEMBL24495794 0.77 SLC18A3 (0.32) TSHR
SCHEMBL17222845 0.77 TSHR (0.49) TSHRPRKCAMEN1KMT2A
SCHEMBL13315399 0.77 TSHR (0.43) TSHRPRKCAPRKCD
SCHEMBL328790 0.76 TSHR (0.33) TSHR
SCHEMBL150975 0.75 SLC18A3 (0.35) TSHR

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-5494645-A UV-CURING OF A COATED COMPOSITION OF COLLOICAL SILICA, AN UNSATURATED SILANE, A POLYACRYLOYLOXY-CONTAINING COMPOUND, A HYDROXY- AND ACRYLOYLOXY-CONTAINING TRIAZINE AND AN ACYLPHOSPHINE-TYPE PHOTOINITIATOR MITSUBISHI RAYON CO., LTD. (JP) 1996-02-27 US disclosed
US-5449702-A Coating composition and process for producing abrasion-resistant synthetic resin molded articles MITSUBISHI RAYON CO., LTD. (JP) 1995-09-12 US disclosed