SCHEMBL8736362

SCHEMBL8736362

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13875108 0.86 LMNA (0.45) LMNATSHRALDH1A1
SCHEMBL1703308 0.78 LMNA (0.39) LMNATSHRALDH1A1KDM4E
SCHEMBL1703572 0.77 TSHR (0.42) LMNATSHRALDH1A1KDM4E
SCHEMBL2637044 0.73 TSHR (0.42) LMNATSHRALDH1A1
SCHEMBL10935741 0.71 TSHR (0.46) LMNATSHRALDH1A1KDM4E
SCHEMBL5597780 0.71 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL92189 0.69 LMNA (0.45) LMNAALDH1A1
SCHEMBL92233 0.68 LMNA (0.48) LMNAALDH1A1KDM4E
SCHEMBL19353730 0.68 LMNA (0.38) LMNATSHRALDH1A1
Nitric Acid SCHEMBL7845636 0.68 TSHR (0.37) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1357497-A Circular cooling water quality stabilizer BALING PEROCHEMICAL YUEYANG PE (CN) 2002-07-10 CN claimed
EP-0366457-B1 Germicidal composition SOMAR CORP (JP) 1994-06-15 EP claimed
US-5013755-A Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic SOMAR CORPORATION (JP) 1991-05-07 US claimed
EP-0366457-A2 Germicidal composition SOMAR CORPORATION (JP) 1990-05-02 EP claimed
CN-1357497-A Circular cooling water quality stabilizer BALING PEROCHEMICAL YUEYANG PE (CN) 2002-07-10 CN disclosed
EP-0648415-B1 Clathrate compound including water-soluble microbicide KURITA WATER IND LTD (JP) 1998-12-02 EP disclosed
US-5523020-A COMPRISING 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE AND A PHENOLIC COMPOUND KURITA WATER INDUSTRIES LTD. (JP) 1996-06-04 US disclosed
EP-0648415-A2 Clathrate compound including water-soluble microbicide KURITA WATER INDUSTRIES LTD. (JP) 1995-04-19 EP disclosed
EP-0366457-B1 Germicidal composition SOMAR CORP (JP) 1994-06-15 EP disclosed
US-5013755-A Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic SOMAR CORPORATION (JP) 1991-05-07 US disclosed