SCHEMBL7438667

SCHEMBL7438667

C=CCC(CC)(C(=O)OC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL7427181 0.84 DGAT1 (0.31) DGAT1
SCHEMBL2328858 0.83 MAPT (0.37) MAPTCYP2C19POLBTDP1
SCHEMBL7448330 0.79
SCHEMBL14385386 0.77 DGAT1 (0.34) POLBDGAT1ALDH1A1
SCHEMBL28728319 0.76 MAPT (0.47) MAPTCYP2C19POLBTDP1DGAT1
SCHEMBL11918118 0.74 DGAT1 (0.36) DGAT1LMNA
SCHEMBL7439027 0.74 DGAT1 (0.32) DGAT1LMNA
SCHEMBL7433180 0.73 CYP2C19 (0.36) MAPTCYP2C19POLBTDP1DGAT1
SCHEMBL9924097 0.73 DGAT1 (0.35) DGAT1
SCHEMBL27853216 0.73 MAPT (0.36) MAPTCYP2C19POLBTDP1DGAT1

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