SCHEMBL10548331

SCHEMBL10548331

C=CCOC(=O)N1CC2=C(C1)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.32
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
SCHEMBL29306874 0.81 ERN1 (0.42) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL4195614 0.73 LMNA (0.46) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL8665411 0.73 TSHR (0.59) LMNAMAPK1RAB9AGPR119NPSR1
SCHEMBL26091050 0.72 ERN1 (0.44) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL9383271 0.72 ERN1 (0.49) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL5667693 0.72 ERN1 (0.42) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL9191402 0.72 LMNA (0.42) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL8924794 0.72 LMNA (0.42) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL3992214 0.72 LMNA (0.45) ERN1LMNAMAPK1RAB9ACYP3A4
SCHEMBL3997516 0.72 LMNA (0.45) ERN1LMNAMAPK1RAB9ACYP3A4

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