SCHEMBL8437124

SCHEMBL8437124

O=CCC1(C(=O)O)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.56
TBXAS1 P24557 2/20 0.34
MME P08473 3/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2306121 0.98 CYP2C19 (0.52) CYP2C19TBXAS1MMEUSP2ALDH1A1
SCHEMBL517418 0.88
SCHEMBL2005168 0.80 CYP2C19 (0.54) CYP2C19TBXAS1MMEUSP2ALDH1A1
Hydrochloric Acid SCHEMBL10824186 0.78 CYP2C19 (0.52) CYP2C19TBXAS1MMEUSP2ALDH1A1
SCHEMBL7154813 0.78 CYP2C19 (0.52) CYP2C19TBXAS1MMEUSP2ALDH1A1
SCHEMBL15059607 0.77 CYP2C19 (0.35) CYP2C19
SCHEMBL11634222 0.77 CYP2C19 (0.50) CYP2C19TBXAS1MMEALDH1A1
Dimethyl Sulfoxide SCHEMBL28235048 0.77 CYP2C19 (0.32) CYP2C19
SCHEMBL9342816 0.75 CYP2C19 (0.65) CYP2C19TBXAS1MMEUSP2ALDH1A1
SCHEMBL125690 0.75 CYP2C19 (0.65) CYP2C19TBXAS1MMEUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908937-A Intermediates for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives SCHERING-PLOUGH LTD. (CH) 1999-06-01 US disclosed
US-5567844-A Process for preparing 1-phenyl-2-amino-3-fluoro-1-propanols ZAMBON S.P.A. (IT) 1996-10-22 US disclosed
EP-0130633-B1 Process for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives ZAMBON SPA (IT) 1996-10-09 EP disclosed
EP-0678506-A2 Intermediates for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives ZAMBON GROUP S.p.A. (IT) 1995-10-25 EP disclosed
EP-0677511-A2 Intermediates for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives ZAMBON GROUP S.p.A. (IT) 1995-10-18 EP disclosed
US-5332835-A Process for fluorinating 1-phenyl-2-amino-1,3-propanediol compounds and new oxazoline compounds useful in this process ZAMBON S.P.A. (IT) 1994-07-26 US disclosed
US-5243056-A Intermediates for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives ZAMBON S.P.A. (IT) 1993-09-07 US disclosed
US-5153328-A 2 Hydrocarbyl-4 substituted methyl 5 (4 substituted phenyl)-oxazolines ZAMBON S.P.A. (IT) 1992-10-06 US disclosed
US-5105009-A Intermediates for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoropropane derivatives ZAMBON S.P.A. (IT) 1992-04-14 US disclosed
US-4743700-A Process for fluorinating 1-phenyl-2-amino-1,3-propanediol compounds ZAMBON S.P.A. (IT) 1988-05-10 US disclosed
EP-0130633-A2 Process for the preparation of 1-(phenyl)-1-hydroxy-2-amino-3-fluoro propane derivatives ZAMBON GROUP S.p.A. (IT) 1985-01-09 EP disclosed