SCHEMBL8749360

SCHEMBL8749360

COc1cccc2cccc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
ELANE P08246 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PPARG P37231 2/20 0.42
HSP90AA1 P07900 2/20 0.42
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL443530 0.84 CA12 (0.55) NQO2CA12CA1CA2CA4
SCHEMBL29709902 0.84 CA12 (0.55) NQO2CA12CA1CA2CA4
SCHEMBL17792053 0.81 PPARG (0.47) NQO2BCHEACHEKDM4EALDH1A1
SCHEMBL19612186 0.80 SMN1; SMN2 (0.44) NQO2CA12CA1CA2CA4
SCHEMBL29127429 0.79 PPARG (0.41) NQO2CA12CA1CA2CA4
SCHEMBL21886373 0.77 MEN1 (0.49) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL13409419 0.76 CA12 (0.46) NQO2ELANECA12CA1CA2
SCHEMBL29620231 0.75 TSHR (0.53) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL29620230 0.75 TSHR (0.53) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL4103602 0.75 TSHR (0.53) CA12CA9KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147775-A1 PROCESS FOR SYNTHESIS OF AROMATIC COMPOUNDS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 WO disclosed
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