SCHEMBL6505017

SCHEMBL6505017

CC(=O)OC(OC(C)=O)C(C)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6505903 0.91 MMP12 (0.64) MMP12
SCHEMBL6506346 0.84 KMT2A (0.43) MMP12TSHRKMT2AMEN1
SCHEMBL6501058 0.83 OPRM1 (0.47)
SCHEMBL2939724 0.83 MMP12 (0.54) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1532473 0.83 MMP12 (0.54) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6499912 0.83 CYP4F2 (0.53) SMN1; SMN2KMT2AMEN1
SCHEMBL7279889 0.81 MMP12 (0.68) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL29257741 0.78 MMP12 (0.52) MMP12TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL7344016 0.78 PPARG (0.55) MMP12TSHRALDH1A1
SCHEMBL7344014 0.78 PPARG (0.55) MMP12TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1290819-C 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate MITSUBISHI PHARMACEUTICAL CO L (JP) 2006-12-20 CN disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed
CN-1480450-A 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate ������ҩ��ʽ���� 2004-03-10 CN disclosed
CN-1137086-C 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof ������ҩ��ʽ���� 2004-02-04 CN disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN disclosed