SCHEMBL9028169

SCHEMBL9028169

COc1ccc(CCN2CCC(=O)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
EBP Q15125 2/20 0.61
TMEM97 Q5BJF2 1/20 0.61
HSP90AA1 P07900 1/20 0.58
DHCR7 Q9UBM7 1/20 0.58
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
EBPL Q9BY08 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PAX8 Q06710 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL27337543 0.82 SIGMAR1 (0.64) SIGMAR1EBPTMEM97HSP90AA1DHCR7
SCHEMBL6625725 0.81 SIGMAR1 (0.63) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL8075010 0.81 SIGMAR1 (0.89) SIGMAR1EBPTMEM97EBPL
SCHEMBL9397288 0.81 SIGMAR1 (0.63) SIGMAR1EBPTMEM97HSP90AA1DHCR7
SCHEMBL3714297 0.80 SIGMAR1 (0.75) SIGMAR1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL1332052 0.79 SIGMAR1 (0.61) SIGMAR1EBPTMEM97ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8088180 0.79 SIGMAR1 (0.87) SIGMAR1EBPTMEM97EBPL
SCHEMBL9829278 0.79 KMT2A (0.58) SIGMAR1HTTALDH1A1MAPK1
SCHEMBL27877058 0.79 SIGMAR1 (0.64) SIGMAR1EBPTMEM97EBPLMAPK1
SCHEMBL4285168 0.79 HSP90AA1 (0.61) SIGMAR1EBPTMEM97HSP90AA1HTT

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-0700385-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-03-13 EP disclosed
WO-1994027967-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1994-12-08 WO disclosed