SCHEMBL5690328

SCHEMBL5690328

CCCNCC#CCOC(=O)C(O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
PRCP P42785 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 1/20 0.34
APOBEC3A P31941 3/20 0.33
APOBEC3G Q9HC16 3/20 0.33
HTT P42858 2/20 0.33
CTSK P43235 2/20 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
SCHEMBL5690461 0.91 HDAC4 (0.37) HDAC4KMT2APOLBSMN1; SMN2MEN1
SCHEMBL1904196 0.82 CHRM2 (0.50) KMT2APOLBSMN1; SMN2MEN1PRCP
SCHEMBL290573 0.79 OPRM1 (0.46) HDAC4KMT2APOLBSMN1; SMN2MEN1
SCHEMBL1612406 0.76 HDAC4 (0.47) HDAC4KMT2AMEN1ALDH1A1APOBEC3A
SCHEMBL27296884 0.75 HDAC4 (0.46) HDAC4KMT2AMEN1ALDH1A1APOBEC3A
SCHEMBL9270722 0.69 OPRM1 (0.47) HDAC4KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL290754 0.69 HDAC4 (0.50) HDAC4KMT2ASMN1; SMN2MEN1
SCHEMBL27774530 0.69 HDAC4 (0.50) HDAC4KMT2ASMN1; SMN2MEN1
SCHEMBL1953126 0.67 AKR1C1 (0.50) HDAC4KMT2ASMN1; SMN2MEN1HTT
SCHEMBL28279369 0.65 PRCP (0.39) HDAC4POLBSMN1; SMN2PRCPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424321-B1 Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC (US) 2006-07-05 EP claimed
EP-1424321-A1 Synthesis of optically active cyclohexylphenylglycolate esters Sepracor, Inc. (US) 2004-06-02 EP claimed
EP-1185498-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS Sepracor Inc. (US) 2002-03-13 EP claimed
US-6140529-A Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 2000-10-31 US claimed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO claimed
EP-1424321-B1 Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC (US) 2006-07-05 EP disclosed
EP-1642883-A2 Optically active cyclohexylphenylglycolate esters SEPRACOR Inc (US) 2006-04-05 EP disclosed
EP-1424321-A1 Synthesis of optically active cyclohexylphenylglycolate esters Sepracor, Inc. (US) 2004-06-02 EP disclosed
EP-1185498-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS Sepracor Inc. (US) 2002-03-13 EP disclosed
US-6140529-A Synthesis of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 2000-10-31 US disclosed
US-6090971-A Resolution process for cyclohexylphenyl glycolic acid SEPRACOR INC. (US) 2000-07-18 US disclosed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO disclosed
US-5973182-A Carbonate Intermediates useful in the preparation of optically active cyclohexylphenylglycolate esters SEPRACOR INC. (US) 1999-10-26 US disclosed