SCHEMBL28829699

SCHEMBL28829699

O=C(O)CC(O)c1cccc(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSA P10619 8/20 0.41

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
SCHEMBL10394753 0.85 AKR1B1 (0.42) AKR1B1KMT2AMEN1CTSA
SCHEMBL8770889 0.84 KMT2A (0.53) AKR1B1KMT2AMEN1CTSA
SCHEMBL8771196 0.84 ADRB2 (0.50) KMT2AMEN1CTSA
SCHEMBL16797627 0.79 CASP1 (0.47) KMT2AMEN1
SCHEMBL16797531 0.77 FABP4 (0.48) AKR1B1KMT2AMEN1
SCHEMBL30556756 0.74 AKR1B1 (0.45) AKR1B1
SCHEMBL9579846 0.74 AKR1B1 (0.45) AKR1B1
SCHEMBL28072543 0.73 FABP4 (0.46) KMT2AMEN1
SCHEMBL9170892 0.72 BCHE (0.42) AKR1B1
SCHEMBL17749160 0.71 FFAR1 (0.47) KMT2AMEN1CTSA

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-105979942-B For treatment or lenitive sulfamate derivatives 比皮艾思药物研发有限公司 2018-12-07 CN disclosed
CN-105979942-A Sulfamate derivative compounds for use in treating or alleviating pain 比皮艾思药物研发有限公司 2016-09-28 CN disclosed