SCHEMBL7558237

SCHEMBL7558237

COc1cc(C(=O)OCC(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HSD17B2 P37059 1/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SLC6A3 Q01959 1/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
JMJD6 Q6NYC1 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15659958 0.80 MAPT (0.49) MAPTTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL730557 0.79 NOTUM (0.47) MAPTCYP1A2CYP2C19KDM4ESLC6A3
SCHEMBL2253933 0.78 MAPT (0.62) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6719741 0.77 PDE4D (0.50) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL2523828 0.77 KDM4E (0.49) MAPTHSD17B2TSHRCYP3A4KDM4E
SCHEMBL1496824 0.76 MAPK1 (0.55) MAPTTSHRCYP1A2CYP3A4POLB
SCHEMBL17233760 0.75 CA1 (0.56) MAPTHDAC6GAASMN1; SMN2
SCHEMBL28823452 0.75 MAPT (0.46) MAPTHSD17B2TSHRCYP1A2CYP3A4
SCHEMBL3528713 0.75 HSD17B2 (0.59) MAPTHSD17B2TSHRCYP2C19KDM4E
SCHEMBL9247387 0.75 GAA (0.49) MAPTTSHRSLC6A3GAAJMJD6

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 8 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-5981768-A SUITABLE FOR USE IN A WIDE VARIETY OF ASSAYS AND OTHER DETECTION APPLICATIONS TROPIX, INC. (US) 1999-11-09 US 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
US-5847161-A 1, 2 chemiluminescent dioxetanes of improved performance TROPIX, INC. (US) 1998-12-08 US disclosed
US-5679803-A 1,2 chemiluminescent dioxetanes of improved performance TROPIX, INC. (US) 1997-10-21 US disclosed
WO-1997014692-A1 1,2 CHEMILUMINESCENT DIOXETANES OF IMPROVED PERFORMANCE TROPIX, INC. (US) 1997-04-24 WO disclosed