SCHEMBL7076936

SCHEMBL7076936

O=S(=O)(O)CCC[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC3 Q16853 3/20 0.41
SRC P12931 1/20 0.41
BCAT2 O15382 1/20 0.41
ASAH1 Q13510 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7075226 1.00 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL972987 1.00 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL11644157 0.90 LMNA (0.52) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL7320028 0.86 HRH1 (0.50) ALDH1A1SRCCYP2C19
SCHEMBL3139395 0.81 SRC (0.39) LMNAALDH1A1KDM4ESRCGMNN
SCHEMBL3129720 0.81 CYP2C19 (0.41) LMNAALDH1A1KDM4ESRCGMNN
SCHEMBL3129679 0.81 SRC (0.39) LMNAALDH1A1KDM4ESRCGMNN
SCHEMBL3139496 0.81 SRC (0.39) LMNAALDH1A1KDM4ESRCGMNN
SCHEMBL9875298 0.81 HRH1 (0.48) ALDH1A1SRCCYP2C19
SCHEMBL10277987 0.80 KDM4E (0.58) LMNAALDH1A1KDM4EL3MBTL1AOC3

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
EP-0612242-B1 USE OF THE PURE S(+) ISOMER OF FLUOXETINE FOR THE PREPARATION OF A MEDICAMENT AGAINST MIGRAINE HEADACHE SEPRACOR INC (US) 2003-07-09 EP disclosed
EP-1208838-A2 Pure S(+)isomer fluoxetine Sepracor Inc. (US) 2002-05-29 EP disclosed
US-5708035-A ANTIDEPRESSANTS, APPETITE SUPPRESSANTS, TREATMENT OF PAIN, SUBSTANCE ABUSE, OBSESSIVE-COMPULSIVE DISORDERS SEPRACOR INC. (US) 1998-01-13 US disclosed
US-5648396-A Methods for treating depression and other disorders using optically pure R (-) fluoxetine and monoamine oxidase inhibitor SEPRACOR INC. (US) 1997-07-15 US disclosed
EP-0612242-A4 METHODS AND COMPOSITIONS UTILIZING PURE S(+) ISOMER FLUOXETINE. SEPRACOR INC (US) 1997-01-15 EP disclosed
US-5589511-A Method for treating migraine headaches using optically pure S(+) fluoxetine SEPRACOR INC. (US) 1996-12-31 US disclosed
WO-1995028152-A1 METHODS AND COMPOSITIONS FOR TREATING DEPRESSION AND OTHER DISORDERS USING OPTICALLY PURE S(+) FLUOXETINE SEPRACOR INC. (US) 1995-10-26 WO disclosed
EP-0612242-A1 METHODS AND COMPOSITIONS UTILIZING PURE S(+) ISOMER FLUOXETINE SEPRACOR, INC. (US) 1994-08-31 EP disclosed
WO-1993009769-A1 METHODS AND COMPOSITIONS UTILIZING PURE S(+) ISOMER FLUOXETINE SEPRACOR, INC. (US) 1993-05-27 WO disclosed
WO-1992013452-A1 METHODS OF USE AND COMPOSITIONS OF R(-) FLUOXETINE YOUNG JAMES W (US) 1992-08-20 WO disclosed
US-5104899-A Side effect reduction SEPRACOR, INC. (US) 1992-04-14 US disclosed