SCHEMBL10548337

SCHEMBL10548337

C=CCOC(=O)N1CC=C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ERN1 O75460 10/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
APP P05067 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.32

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
SCHEMBL9384934 0.80 LMNA (0.38) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL5667693 0.78 ERN1 (0.42) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL8924794 0.75 LMNA (0.42) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL9191402 0.75 LMNA (0.42) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL29306874 0.74 ERN1 (0.42) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL30564477 0.74 LMNA (0.40) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL9382635 0.74 ERN1 (0.36) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL7958636 0.73 ERN1 (0.43) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL9382711 0.72 LMNA (0.39) LMNAMAPK1RAB9AERN1CYP3A4
SCHEMBL10548331 0.71 ERN1 (0.40) LMNAMAPK1RAB9AERN1CYP3A4

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-4806637-A 6-(Hydroxyethyl)-2-(heterocyclylthio)-penem-3-carboxylates SCHERING CORPORATION (US) 1989-02-21 US disclosed
EP-0238285-A2 2-Heterocyclylthio penems SCHERING CORPORATION (US) 1987-09-23 EP disclosed