SCHEMBL7557418

SCHEMBL7557418

Cc1cc([O])c2ccccc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.59
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
TTR P02766 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL4630376 0.79 HTT (0.71) HTTLMNAPKMMEN1MAPT
SCHEMBL10579123 0.79 HTT (0.71) HTTLMNAPKMMEN1MAPT
Vitamin K3H2 SCHEMBL29525544 0.77 HTT (1.00) HTTLMNAPKMMEN1MAPT
Vitamin K3H2 SCHEMBL297164 0.77 HTT (1.00) HTTLMNAPKMMEN1MAPT
SCHEMBL299514 0.77 CYP1A2 (0.43) HTTLMNAPKMMAPK1RAB9A
Vitamin K3H2 SCHEMBL2887680 0.76 HTT (0.95) HTTLMNAPKMMEN1MAPT
SCHEMBL30540374 0.74 HTT (0.63) HTTLMNAPKMMEN1MAPT
SCHEMBL6537018 0.74 HTT (0.63) HTTLMNAPKMMEN1MAPT
SCHEMBL21771153 0.74 HTT (0.63) HTTLMNAPKMMEN1MAPT
SCHEMBL318448 0.74 PKM (1.00) HTTLMNAPKMMEN1MAPT

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-1019390-B1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX INC (US) 2002-07-24 EP disclosed
EP-1019390-A4 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX INC (US) 2000-07-19 EP disclosed
EP-1019390-A1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX, INC. (US) 2000-07-19 EP disclosed
US-5869699-A STABLE DIOXETANE BEARING A SPIROADAMANTANE STABILIZING GROUP AND ARYLOXY MOIETY, WITH A PROTECTING GROUP THAT CAN BE REMOVED BY AN ENZYMATIC OR CHEMICAL TRIGGER; KIT FOR USE IN ASSAYS REQUIRING HIGH LIGHT INTENSITY, DETECTION SENSITIVITY TROPIX, INC. (US) 1999-02-09 US disclosed
WO-1997014692-A1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX, INC. (US) 1997-04-24 WO disclosed