SCHEMBL6582968

SCHEMBL6582968

CCCCOc1cc(C(C)(O)CC#N)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMPD1 P17405 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40
PDE4B Q07343 6/20 0.39
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
AR P10275 1/20 0.38
FAAH O00519 1/20 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
SCHEMBL6584387 0.86 CASP1 (0.57) CASP1HSD17B10L3MBTL1PDE4BPDE4A
SCHEMBL6582613 0.83 SIGMAR1 (0.49)
SCHEMBL6585217 0.82 CASP1 (0.45) CASP1HSD17B10L3MBTL1PDE4BPDE4A
SCHEMBL6584961 0.80 PDE4B (0.44) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL8004519 0.76 HSD17B10 (0.43) CASP1HSD17B10SMPD1ESR1PDE4B
SCHEMBL7767598 0.76 HSD17B10 (0.43) CASP1HSD17B10SMPD1ESR1PDE4B
SCHEMBL6587626 0.75 PDE4B (0.48) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL8229686 0.75 HSD17B10 (0.43) CASP1HSD17B10SMPD1L3MBTL1PDE4B
Ammonia Solution, Strong SCHEMBL8004523 0.74 PDE4B (0.42) CASP1HSD17B10SMPD1L3MBTL1PDE4B
SCHEMBL8354813 0.72 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D

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