SCHEMBL28017182

SCHEMBL28017182

O=C(Cl)CC(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL377175 0.83 L3MBTL1 (0.61) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL377609 0.83 L3MBTL1 (0.61) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL29903902 0.83 L3MBTL1 (0.61) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL146867 0.83 L3MBTL1 (0.61) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL23782080 0.81 L3MBTL1 (0.59) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6739142 0.81 L3MBTL1 (0.59) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL10824814 0.81 CYP2C19 (0.55) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4082495 0.80 LMNA (0.48) CYP2C19POLBCYP2D6SRCLMNA
SCHEMBL12294613 0.79 SMN1; SMN2 (0.54) CYP2C19POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9668117 0.79 CYP2C19 (0.53) CYP2C19POLBSMN1; SMN2MEN1KMT2A

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-104718200-A Thiophene derivatives used in the treatment of diabetes METABRAIN RES 2015-06-17 CN disclosed