SCHEMBL9506098

SCHEMBL9506098

O=C1CCCCN1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CASP1 P29466 1/20 0.49
ALDH1A1 P00352 2/20 0.46
ACHE P22303 1/20 0.45
LTA4H P09960 1/20 0.42
PREP P48147 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TSHR P16473 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
SCHEMBL28516086 0.98 L3MBTL1 (0.55) L3MBTL1CASP1ALDH1A1ACHELTA4H
SCHEMBL6947156 0.95 CASP1 (0.53) L3MBTL1CASP1ALDH1A1PREPTSHR
SCHEMBL1934716 0.88 ALDH1A1 (0.50) L3MBTL1CASP1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6601200 0.85 CASP1 (0.57) L3MBTL1CASP1ALDH1A1PREPSMN1; SMN2
SCHEMBL31394302 0.80 LTA4H (0.42) L3MBTL1ALDH1A1LTA4HHRH3
SCHEMBL1749856 0.79 LTA4H (0.41) L3MBTL1ALDH1A1LTA4HHRH3
Hydrochloric Acid SCHEMBL1749447 0.79 LTA4H (0.41) ALDH1A1LTA4HHRH3
SCHEMBL6628631 0.78 CASP1 (0.41) L3MBTL1CASP1
SCHEMBL13386604 0.78 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL18655950 0.78 ALDH1A1 (0.47) ALDH1A1LTA4HPREPHRH3TSHR

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
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
EP-1666551-B1 Ink for ink jet-recording curable through irradiation and method for preparing lithographic printing plates using the same FUJIFILM CORP (JP) 2010-02-17 EP disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed