SCHEMBL28334287

SCHEMBL28334287

Cc1cccc2c1C(=O)N(OCC(O)CO)C2=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.41
TYMS P04818 4/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6526529 0.82 POLB (0.61) POLBSMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL26249820 0.82 POLB (0.61) POLBSMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL8938128 0.78 TDP1 (0.45) TYMSDPP4TDP1
SCHEMBL9491238 0.76 TDP1 (0.54) CYP1A2TYMSDPP4TDP1
SCHEMBL529416 0.74 POLB (0.70) POLBSMN1; SMN2CYP1A2KMT2AMEN1
SCHEMBL13495393 0.73 DPP4 (0.47) POLBKMT2ATYMSDPP4MEN1
SCHEMBL13700531 0.72 TYMS (0.47) KDM4EKMT2ATYMSDPP4MEN1
SCHEMBL27614683 0.71 TYMS (0.46) KDM4EKMT2ATYMSDPP4MEN1
SCHEMBL28854192 0.70 POLB (0.35) POLBSMN1; SMN2KMT2A
SCHEMBL13700529 0.70 TYMS (0.45) KDM4EKMT2ATYMSDPP4MEN1

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-110418819-A Thermoplastic polyester resin composition and molded product TORAY INDUSTRIES 2019-11-05 CN disclosed