SCHEMBL8749248

SCHEMBL8749248

COC(=C1C2CC3CC(C2)CC1C3)c1ccc2c(OC)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 5/20 0.35
NQO1 P15559 1/20 0.33
PKM P14618 1/20 0.33
CNR2 P34972 1/20 0.33
PSMB5 P28074 1/20 0.33
HPGDS O60760 1/20 0.33
ESR1 P03372 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL9616262 0.86 PLAU (0.38) KDM2BCNR2ESR1MEN1KMT2A
SCHEMBL8860947 0.81 SLC6A3 (0.41) ESR1
SCHEMBL22525083 0.80 KDM2B (0.40) KDM2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7524110 0.78 RECQL (0.43) ALDH1A1PKMCNR2ESR1MEN1
SCHEMBL7598473 0.78 KDM4E (0.46) KDM2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL734321 0.77 FAAH (0.43) KDM4EALDH1A1HPGDCNR2ESR1
SCHEMBL8058782 0.77 FAAH (0.43) KDM4EALDH1A1HPGDCNR2ESR1
SCHEMBL10199844 0.76 PKM (0.39) KDM4EPKMCNR2ESR1MEN1
SCHEMBL7598259 0.76 MEN1 (0.51) ALDH1A1CNR2EPHX2MEN1KMT2A
SCHEMBL31236475 0.76 MEN1 (0.51) ALDH1A1CNR2EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO disclosed