SCHEMBL6812441

SCHEMBL6812441

CN(C)C(=O)c1cc(CCO)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.53
FFAR4 Q5NUL3 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BRD4 O60885 2/20 0.48
FFAR1 O14842 1/20 0.48
LRRK2 Q5S007 1/20 0.47
APP P05067 2/20 0.47
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
LTB4R Q15722 1/20 0.43

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
SCHEMBL6813893 0.89 FOLH1 (0.55) FOLH1FFAR4BRD4FFAR1LRRK2
SCHEMBL6809837 0.83 FOLH1 (0.54) FOLH1FFAR4CYP4F2CYP4A11FFAR1
SCHEMBL6809852 0.83 FOLH1 (0.57) FOLH1FFAR4CYP4F2CYP4A11FFAR1
SCHEMBL12726937 0.81 TRPM8 (0.58) BRD4L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL13643136 0.80 FOLH1 (0.48) FOLH1FFAR4BRD4LRRK2APP
SCHEMBL14870834 0.80 FOLH1 (0.48) FOLH1FFAR4BRD4LRRK2APP
SCHEMBL10214905 0.79 FOLH1 (0.47) FOLH1FFAR4BRD4LRRK2APP
SCHEMBL2617285 0.79 FOLH1 (0.47) FOLH1FFAR4BRD4LRRK2APP
SCHEMBL6814409 0.79 KDM4E (0.54) FOLH1BRD4LRRK2APPKDM4E
SCHEMBL360371 0.77 CYP4F2 (0.63) FFAR4CYP4F2CYP4A11FFAR1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed