SCHEMBL7559121

SCHEMBL7559121

CCO[PH](=O)OCC.COc1cc(COCC(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
PDE2A O00408 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 2/20 0.34
KDM4A O75164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
SLC5A2 P31639 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR1 P32246 1/20 0.32
MRGPRX4 Q96LA9 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
Butane SCHEMBL8011646 0.86 MAPT (0.44) MAPTMEN1KMT2ACYP3A4CYP2C19
SCHEMBL5159677 0.83 ALDH1A1 (0.40) MAPTCYP3A4ALDH1A1KDM5AKDM5B
SCHEMBL252910 0.66 PTGS2 (0.52) MAPTMEN1KMT2ACYP2C19MAPK1
SCHEMBL28348142 0.65 CA2 (0.57) MAPTMEN1KMT2ACYP3A4ALDH1A1
Phosphonic Acid SCHEMBL5668726 0.65 MAPT (0.37) MAPTMEN1KMT2ACYP3A4CYP2C19
SCHEMBL7368290 0.65 CA2 (0.45) MAPTMEN1KMT2ACYP3A4CYP2C19
SCHEMBL7668780 0.65 ALDH1A1 (0.47) MAPTMEN1KMT2ACYP2C19MAPK1
SCHEMBL17720551 0.64 CA1 (0.30)
SCHEMBL2614593 0.64 S1PR1 (0.42) MAPTIDO1MRGPRX4
SCHEMBL25682539 0.64 ALDH1A1 (0.54) MAPTMEN1KMT2ACYP3A4CYP2C19

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
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