SCHEMBL28679667

SCHEMBL28679667

CCN(CC)OC(=O)c1ccccc1O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
ALOX15 P16050 1/20 0.47
BCHE P06276 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL1302730 0.98 TSHR (0.56) TSHRLMNATDP1HPGDHSD17B10
SCHEMBL118699 0.89 LMNA (0.46) TSHRLMNATDP1HPGDHSD17B10
SCHEMBL18669343 0.84 LMNA (0.41) TSHRLMNATDP1HPGDHSD17B10
SCHEMBL28001112 0.82 LMNA (0.41) TSHRLMNATDP1HPGDHSD17B10
SCHEMBL11525749 0.82 TSHR (0.46) TSHRLMNATDP1HSD17B10ALDH1A1
SCHEMBL28947032 0.82 LMNA (0.51) TSHRLMNATDP1HPGDHSD17B10
SCHEMBL28189905 0.81 TSHR (0.48) TSHRLMNAHPGDHSD17B10ALDH1A1
SCHEMBL27754518 0.81 CA12 (0.44) TSHRLMNAHPGDHSD17B10ALDH1A1
SCHEMBL27996926 0.80 LIG1 (0.41) TSHRLMNATDP1HPGDHSD17B10
Benzoic Acid Hexyl Ester SCHEMBL29281679 0.79 TSHR (0.56) TSHRLMNATDP1HSD17B10ALDH1A1

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
CN-113215378-A Anti-corrosion treatment method for low-alloy steel pipe of ship boiler 哈尔滨锅炉厂有限责任公司 2021-08-06 CN claimed
CN-113215378-A Anti-corrosion treatment method for low-alloy steel pipe of ship boiler 哈尔滨锅炉厂有限责任公司 2021-08-06 CN disclosed