SCHEMBL6585940

SCHEMBL6585940

COc1ccc(C(O)CC#N)cc1OCCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SMPD1 P17405 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CETP P11597 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.37
ADRB2 P07550 2/20 0.37
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37

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
SCHEMBL7906250 0.86 NFKB1 (0.48) L3MBTL1SMPD1PARP15PARP10CETP
SCHEMBL6582744 0.82 SIGMAR1 (0.50)
SCHEMBL6583680 0.79 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6586912 0.77 PDE4B (0.46) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL6586702 0.77 FFAR1 (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582898 0.76 PPARG (0.53) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL6584079 0.75 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL5704545 0.75 SMPD1 (0.48) L3MBTL1SMPD1PARP15PARP10CETP
SCHEMBL6586764 0.75 PDE4B (0.46) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL6588285 0.74 HIF1A (0.45) L3MBTL1PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed