SCHEMBL10356348

SCHEMBL10356348

C=CC(=O)OCCCCCC(C)C.CCOC(=O)CC=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ HCAR2 Q8TDS4 5/20 0.42
▸ ESR1 P03372 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ APP P05067 3/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10476946 0.88 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDHCAR2
Maleic Acid SCHEMBL28119985 0.85 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid Ethyl Ester SCHEMBL7225855 0.83 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL5613338 0.82 HCAR2 (0.47) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid SCHEMBL2123019 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid SCHEMBL1100290 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDHCAR2
Acrylic Acid SCHEMBL3027841 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL7649975 0.81 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL8396140 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL25270629 0.80 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDHCAR2

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
EP-0241212-B1 TRANSFER GRAPHIC ARTICLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-10-10 — — EP claimed
US-4759968-A Used for applying to a substrate a graphic pattern MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-07-26 — — US claimed
EP-0241212-A2 Transfer graphic article MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-10-14 — — EP claimed
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