SCHEMBL7441186

SCHEMBL7441186

CCOC(=O)C(C)(CC#N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.55
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.51
PIN1 Q13526 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
PPID Q08752 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CTSS P25774 4/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSK P43235 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL21384832 0.87 PTPN1 (0.45) MMP8ALDH1A1RECQLCTSSCTSL
SCHEMBL10904502 0.81 MMP8 (0.50) MMP8ALDH1A1RECQLPIN1GPR119
SCHEMBL9712250 0.81 MMP8 (0.58) MMP8ALDH1A1RECQLPIN1GPR119
SCHEMBL23699289 0.79 MMP8 (0.57) MMP8ALDH1A1RECQLPIN1GPR119
SCHEMBL27993636 0.79 MMP8 (0.57) MMP8ALDH1A1RECQLPIN1GPR119
SCHEMBL21247201 0.78 MMP8 (0.56) MMP8ALDH1A1RECQLPIN1PPID
SCHEMBL19329165 0.78 MMP8 (0.56) MMP8ALDH1A1RECQLPIN1GPR119
SCHEMBL7942748 0.78 ALDH1A1 (0.55) MMP8ALDH1A1RECQLPIN1PPID
SCHEMBL8710582 0.77 MMP8 (0.79) MMP8ALDH1A1RECQLPIN1PPID
SCHEMBL1492859 0.77 MMP8 (0.65) MMP8ALDH1A1RECQLPIN1PPID

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
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed