SCHEMBL28038527

SCHEMBL28038527

CS(=O)(=O)Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.47
KEAP1 Q14145 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RECQL P46063 2/20 0.44
KIF11 P52732 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 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
SCHEMBL28038520 0.81 NR3C1 (0.63) NR3C2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10827723 0.80 NR3C2 (0.65) NR3C2ALDH1A1KDM4EHPGDLMNA
SCHEMBL27182908 0.76 MAPT (0.48) NR3C2ALDH1A1KDM4EHPGDHTT
SCHEMBL10826155 0.76 POLB (0.51) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL10949331 0.76 NR3C2 (0.59) NR3C2ALDH1A1KDM4EHPGDLMNA
SCHEMBL10105249 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL17193569 0.76 HPGD (0.54) NR3C2ALDH1A1KDM4EHPGDLMNA
SCHEMBL6243535 0.74 MAPT (0.44) ALDH1A1LMNAHTTSMN1; SMN2RECQL
SCHEMBL12054668 0.74 KEAP1 (0.75) NR3C2ALDH1A1KDM4EHPGDLMNA
SCHEMBL10926948 0.74 CA1 (0.68) NR3C2ALDH1A1KDM4EHPGDLMNA

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-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 CN disclosed
CN-104955358-A Kit for coloring hair UNILEVER NV 2015-09-30 CN disclosed