SCHEMBL7560487

SCHEMBL7560487

O=C1OCOC1(C1=CCCCC1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
ELANE P08246 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CYP2C9 P11712 1/20 0.30
HCAR3 P49019 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
SCHEMBL13326236 0.79 CFTR (0.41) MEN1KMT2ACFTRGOPCCHRM2
SCHEMBL1997816 0.67 CHRM2 (0.33) HCAR2CHRM2CHRM4HCAR3
SCHEMBL9248402 0.64 HSD11B1 (0.43) MEN1KMT2ACYP2C9
SCHEMBL28921927 0.62 HCAR2 (0.34) HCAR2
SCHEMBL7103224 0.60 ALDH1A1 (0.41) HCAR2ELANEMEN1KMT2AHCAR3
SCHEMBL7777523 0.60 L3MBTL1 (0.45) CHRM2CHRM4CYP2C9
SCHEMBL7635908 0.60 CFTR (0.56) HCAR2MEN1KMT2ACFTRGOPC
SCHEMBL7559609 0.59 AKR1C1 (0.38) MEN1KMT2A
SCHEMBL9304904 0.58 CFTR (0.54) HCAR2MEN1KMT2ACFTRGOPC
SCHEMBL13745023 0.56 OPRM1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP claimed
US-6180823-B1 CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID SEPRACOR INC. 2001-01-30 US claimed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO claimed
EP-1191930-A2 METHODS FOR TREATMENT OF ASTHMA USING S-OXYBUTYNIN Sepracor Inc. (US) 2002-04-03 EP disclosed
US-6294582-B1 THERAPY OF REVERSIBLE OBSTRUCTIVE PULMONARY DISEASE BY ADMINISTERING OPTICALLY PURE S-OXYBUTYNIN OR ITS SALT SEPRACOR INC. 2001-09-25 US disclosed
WO-2000076490-A2 METHODS AND COMPOSITIONS FOR TREATING URINARY FREQUENCY AND URGENCY USING OPTICALLY PURE (S)-OXYBUTYNIN SEPRACOR INC. (US) 2000-12-21 WO disclosed
WO-2000071108-A2 METHODS FOR TREATMENT OF ASTHMA USING S-OXYBUTYNIN SEPRACOR INC. (US) 2000-11-30 WO disclosed