SCHEMBL10316631

SCHEMBL10316631

C=CCCCCCC(C)(CCCCCCCCCCCCCCCCC)N1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 1/20 0.37
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19704405 0.87 MGLL (0.40) MGLLFAAHALDH1A1CYP1A2
SCHEMBL20930969 0.87 MGLL (0.40) MGLLFAAHALDH1A1CYP1A2
SCHEMBL21158066 0.87 MGLL (0.40) MGLLFAAHALDH1A1CYP1A2
SCHEMBL20616617 0.86 MGLL (0.38) MGLLFAAHALDH1A1
SCHEMBL21577922 0.84 MGLL (0.38) MGLLFAAHALDH1A1CYP1A2
SCHEMBL21158545 0.81 MGLL (0.38) MGLLFAAHALDH1A1CYP1A2
SCHEMBL21577840 0.79 FAAH (0.36) MGLLFAAHALDH1A1
SCHEMBL28651505 0.76 TSHR (0.40) TSHRMGLLFAAHALDH1A1GMNN
SCHEMBL24916383 0.74 MGLL (0.40) MGLLFAAHALDH1A1CYP1A2
SCHEMBL16136724 0.73 FAAH (0.46) TSHRMGLLFAAHALDH1A1GMNN

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
EP-2476741-A1 Pyrrolidine-2,5-Dione derivatives for use in friction modification Afton Chemical Corporation (US) 2012-07-18 EP disclosed