SCHEMBL20548567

SCHEMBL20548567

CC(C)(Br)C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 7/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL5583377 0.90 MAOB (0.57) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL13644848 0.84 ALDH1A1 (0.39) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL5604684 0.84 MAOB (0.53) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL5583251 0.84 MAOB (0.53) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL12611778 0.83 MAOB (0.53) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL1108184 0.81 MAOB (0.61) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL13883939 0.81 MAOB (0.51) MAOBNPSR1ALDH1A1HTTTSHR
SCHEMBL286962 0.81 MAOB (0.56) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL1104649 0.80 MAOB (0.56) MAOBALDH1A1HTTTSHRMEN1
SCHEMBL8747352 0.80 MAOB (0.59) MAOBALDH1A1HTTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108795210-B Oil-repellent agent and oil-repellent method using the same 斯沃奇集团研究和开发有限公司 2022-02-25 CN disclosed
US-11117162-B2 Epilamization agent comprising a cleavable linking group and epilamization method using such an epilamization agent THE SWATCH GROUP RESEARCH AND DEVELOPMENT LTD (CH) 2021-09-14 US disclosed
EP-3398978-B1 EPILAME-COATING AGENT AND EPILAME-COATING METHOD USING SUCH AN EPILAME-COATING AGENT SWATCH GROUP RES & DEV LTD (CH) 2020-03-11 EP disclosed
US-20180318872-A1 EPILAMIZATION AGENT AND EPILAMIZATION METHOD USING SUCH AN EPILAMIZATION AGENT THE SWATCH GROUP RESEARCH AND DEVELOPMENT LTD (CH) 2018-11-08 US disclosed
EP-3398978-A1 EPILAME-COATING AGENT AND EPILAME-COATING METHOD USING SUCH AN EPILAME-COATING AGENT The Swatch Group Research and Development Ltd (CH) 2018-11-07 EP disclosed