SCHEMBL22972832

SCHEMBL22972832

CC(=CCCNC(=O)NCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
AKT1 P31749 1/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MGLL Q99685 4/20 0.33
FAAH O00519 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL22972833 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22972834 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL22972828 0.82 MGLL (0.36) OPRM1OPRD1OPRK1AKT1PTGS1
SCHEMBL22972829 0.82 MGLL (0.36) OPRM1OPRD1OPRK1AKT1PTGS1
SCHEMBL17739813 0.76 OPRM1 (0.50) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL24045356 0.74 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL20087382 0.74 PTGS1 (0.54) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL8549460 0.74 EPHX1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL8549463 0.74 EPHX1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL8544801 0.72 KEAP1 (0.35) MTNR1APPARG

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-3221698-B1 POROUS MEMBRANES WITH A POLYMER GRAFTING, METHODS AND USES THEREOF Global Life Sciences Solutions Operations UK Ltd (GB) 2021-02-17 EP claimed