SCHEMBL28675859

SCHEMBL28675859

O=C1c2ccccc2C(=O)N1OCC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL28930374 0.89 POLB (0.53) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL529416 0.84 POLB (0.70) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL30444198 0.84 POLB (0.49) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL28675352 0.84 POLB (0.49) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL22116031 0.81 GAA (0.50) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL2296722 0.81 POLB (0.58) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL31208299 0.81 POLB (0.58) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL2296725 0.81 POLB (0.58) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL6526529 0.79 POLB (0.61) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL26249820 0.79 POLB (0.61) POLBSMN1; SMN2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698338-A Preparation method of styrene double oxidation product 湖北工业大学 2021-11-26 CN disclosed