SCHEMBL9627031

SCHEMBL9627031

CCCCOC(=O)N1CCC=C(C=O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HRH2 P25021 6/20 0.41
HRH1 P35367 6/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.36
PLA2G2A P14555 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL9625460 0.92 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBALDH1A1KDM4E
SCHEMBL9624898 0.87 MAPT (0.44) SMN1; SMN2LMNAPOLBALDH1A1KDM4E
SCHEMBL9457164 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL9626334 0.83 POLB (0.34) SMN1; SMN2LMNAPOLBALDH1A1KDM4E
SCHEMBL9625616 0.82 SMN1; SMN2 (0.33) SMN1; SMN2LMNAPOLBALDH1A1MEN1
SCHEMBL27563812 0.80 LMNA (0.48) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL7740552 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL9625448 0.78 L3MBTL1 (0.40) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL9626076 0.78 OPRM1 (0.47) SMN1; SMN2POLBHRH2HRH1ALDH1A1
SCHEMBL9625561 0.78 ERN1 (0.43) LMNA

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
EP-0308283-B1 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDE OXIME DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-01-22 EP disclosed
EP-0308283-A1 1,2,5,6-Tetrahydropyridine-3-carboxaldehyde oxime derivatives, process for their preparation, their use as pharmaceutical compounds and compositions containing them ROUSSEL-UCLAF (FR) 1989-03-22 EP disclosed