SCHEMBL11540976

SCHEMBL11540976

CCCCCCC1(CC)C(=O)N(CCO)C(=O)N1CCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 2/20 0.33
FAAH O00519 1/20 0.33
GBA1 P04062 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL11541998 0.94 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11538979 0.94 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11535701 0.81 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11536097 0.81 PTGS1 (0.33) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11537334 0.79 PTGS1 (0.31) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11537408 0.76 TSHR (0.43)
SCHEMBL11599166 0.75 SMN1; SMN2 (0.35) SIRT2
SCHEMBL11426999 0.75 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHGBA1
SCHEMBL11508743 0.74 ELANE (0.30)
SCHEMBL11582116 0.74 ALDH1A1 (0.38) PTGS1PTGS2MGLLFAAH

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-4150234-A WATER RESISTANT CIBA-GEIGY CORPORATION (US) 1979-04-17 US disclosed