SCHEMBL22900562

SCHEMBL22900562

CCCOC(=O)c1n[nH]c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19158730 0.89 PDE4D (0.59) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL16453474 0.77 KDM4C (0.53) PDE4DKDM4EPOLBHCAR2KDR
SCHEMBL15555140 0.73 KDM4E (0.51) PDE4DKDM4EPOLBALDH1A1LMNA
SCHEMBL7814443 0.73 PDE4D (0.58) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL10862602 0.73 KDM4E (0.51) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL31367819 0.73 PDE4D (0.73) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL10860621 0.73 KDM4E (0.51) PDE4DKDM4EPOLBALDH1A1LMNA
SCHEMBL23757849 0.71 KDM4E (0.50) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL9025212 0.71 HCAR2 (0.66) PDE4DKDM4EPOLBALDH1A1MEN1
SCHEMBL3078972 0.71 PDE4D (0.56) PDE4DKDM4EPOLBALDH1A1MEN1

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 — — WO disclosed
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