SCHEMBL29636366

SCHEMBL29636366

COc1cccc(N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
HSD17B2 P37059 3/20 0.51
HSD17B1 P14061 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
APP P05067 1/20 0.50
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
BCHE P06276 1/20 0.47
ALOX15 P16050 1/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL820669 1.00 ACHE (0.52) ACHEHSD17B2HSD17B1ALDH1A1CA1
Hydrochloric Acid SCHEMBL2861521 0.98 HSD17B2 (0.50) ACHEHSD17B2HSD17B1ALDH1A1CA1
Nitrogen SCHEMBL4600737 0.96 HSD17B2 (0.49) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL20838956 0.92 SMN1; SMN2 (0.55) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL30053811 0.92 SMN1; SMN2 (0.55) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL6501883 0.92 HSD17B2 (0.50) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL1134082 0.86 MTNR1A (0.61) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL30054343 0.86 MTNR1A (0.61) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL7850178 0.86 CALM1 (0.46) ACHEHSD17B2HSD17B1ALDH1A1CA1
SCHEMBL31256052 0.84 ACHE (0.54) ACHEHSD17B2HSD17B1ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239784-B Photosensitive MOF and preparation method and application thereof 兰州大学 2024-05-03 CN disclosed
CN-115403501-B Preparation method and application of 3,3' -diaryl methane compound 五邑大学 2024-03-26 CN disclosed
CN-115536536-B Preparation method of m-dialkylaminophenol 常州大学 2023-12-12 CN disclosed
CN-116239784-A Photosensitive MOF and preparation method and application thereof 兰州大学 2023-06-09 CN disclosed
CN-113880750-B Synthesis method of chiral 3-substituted-3-aryl oxindole compound 上海交通大学 2023-02-10 CN disclosed
CN-115536536-A Preparation method of m-dialkylaminophenol 常州大学 2022-12-30 CN disclosed
CN-115403501-A Preparation method and application of 3,3' -diarylmethane compound 五邑大学 2022-11-29 CN disclosed
CN-111868105-B Photopolymerizable sensitizer composition 川崎化成工业株式会社 2022-05-13 CN disclosed