SCHEMBL28038744

SCHEMBL28038744

C=CC(=O)OCC1CO1.CCC(O)(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL614807 0.87 MGLL (0.51) MGLLMEN1KMT2ATHRB
Acrylic Acid Methyl Ester SCHEMBL27317743 0.87 KMT2A (0.38) MGLLMEN1KMT2AALDH1A1
Acrylic Acid SCHEMBL27532259 0.86 MEN1 (0.41) MGLLMEN1KMT2AALDH1A1
Acrylic Acid SCHEMBL27881440 0.86 MEN1 (0.41) MGLLMEN1KMT2AALDH1A1
Ether SCHEMBL614806 0.86 MGLL (0.46) MGLLMEN1KMT2ATHRB
SCHEMBL27331208 0.83 ALDH1A1 (0.61) MGLLMEN1KMT2AALDH1A1
SCHEMBL27465017 0.83 ALDH1A1 (0.61) MGLLMEN1KMT2AALDH1A1
Toluene SCHEMBL27333598 0.82 MGLL (0.53) MGLLTHRBALDH1A1
Benzene SCHEMBL1565370 0.81 MGLL (0.52) MGLLTHRBALDH1A1
Methacrylic Acid SCHEMBL27480115 0.81 ALDH1A1 (0.58) MGLLMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175594-A Optical cable intensified core material NANTONG SIVERLAKE COMM EQUIPMENTS & TECHNOLOGY CO LTD 2015-12-23 CN claimed
CN-105175594-A Optical cable intensified core material NANTONG SIVERLAKE COMM EQUIPMENTS & TECHNOLOGY CO LTD 2015-12-23 CN disclosed