SCHEMBL11274455

SCHEMBL11274455

CCOC(=O)C(C=O)C(=O)C(N)n1cccc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
PIN1 Q13526 1/20 0.30

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
SCHEMBL10275655 0.72 ALDH1A1 (0.46) CYP2D6CYP2C9CYP2C19PIN1
SCHEMBL11269036 0.72 MMP8 (0.46) PIN1
SCHEMBL8906464 0.69 PIN1 (0.39) HTTATML3MBTL1PIN1
SCHEMBL10028356 0.69 MAPT (0.40) CYP2C9CYP2C19L3MBTL1PIN1
SCHEMBL11274448 0.68 PIN1 (0.33) L3MBTL1METAP2PIN1
SCHEMBL6070239 0.67 ALDH1A1 (0.44) CYP2D6CYP2C9CYP2C19PIN1
SCHEMBL28265249 0.66 PIN1 (0.37) HTTATML3MBTL1PIN1
SCHEMBL5972394 0.66 MEN1 (0.40) CYP2C9CYP2C19HTTPIN1
SCHEMBL15474317 0.65 ALDH1A1 (0.39) CYP2D6CYP2C9CYP2C19PIN1
SCHEMBL17111315 0.65 ALDH1A1 (0.38) PIN1

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
US-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed