SCHEMBL17420127

SCHEMBL17420127

C=CC(=O)ON(CC)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 3/20 0.36
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
Hydrochloric Acid SCHEMBL2019270 0.98 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL8779939 0.83 THRB (0.37) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL8779963 0.80 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL10684429 0.76 TSHR (0.40) TSHRHPGDTHRBALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL718580 0.74 CHRM2 (0.39) TSHRTHRBALDH1A1HIF1ACYP3A4
SCHEMBL3284080 0.74 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2775308 0.74 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27932407 0.72
Hydrochloric Acid SCHEMBL9794894 0.72 MEN1 (0.39) TSHRTHRBALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5700059 0.72 ALDH1A1 (0.38) TSHRTHRBALDH1A1

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-20160009018-A1 IN-MOLD LABEL FOR STRETCH BLOW MOLDING AND LABELED STRETCH BLOW MOLDED PRODUCT USING SAME YUPO CORPORATION (JP) 2016-01-14 US disclosed