SCHEMBL2436493

SCHEMBL2436493

OB(O)c1cccc(Br)c1.OB(OCl)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
ENPP2 Q13822 7/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
TSHR P16473 1/20 0.36
PCSK9 Q8NBP7 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
C1S P09871 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL73569 0.83 ENPP2 (0.56) MGLLENPP2CA4CA6CA5A
Benzene SCHEMBL28042387 0.81 TRPV6 (0.50) MGLLENPP2CA4CA6CA5A
SCHEMBL244920 0.81 TRPV6 (0.50) MGLLENPP2CA4CA6CA5A
Pyridine SCHEMBL28318000 0.75 MGLL (0.46) MGLLENPP2CA4CA6CA5A
SCHEMBL911579 0.75 ENPP2 (0.59) MGLLENPP2CA4CA6CA5A
SCHEMBL2436490 0.75 MGLL (0.42) MGLLENPP2CA4CA6CA5A
Formic Acid SCHEMBL28096019 0.74 ENPP2 (0.47) MGLLENPP2CA4CA6CA5A
SCHEMBL22571557 0.73 ALDH1A1 (0.46) MGLLENPP2CA4CA6CA5A
SCHEMBL29658033 0.73 MGLL (0.62) MGLLENPP2CA4CA6CA5A
SCHEMBL29465999 0.72 MGLL (0.67) MGLLENPP2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2756067-A1 MICROCAPSULE COMPOSITIONS COMPRISING PH TUNEABLE DI-AMIDO GELLANTS The Procter & Gamble Company (US) 2014-07-23 EP disclosed
WO-2013039963-A1 MICROCAPSULE COMPOSITIONS COMPRISING PH TUNEABLE DI-AMIDO GELLANTS THE PROCTER & GAMBLE COMPANY (US) 2013-03-21 WO disclosed
WO-2011112910-A1 LIQUID DETERGENT COMPOSITIONS COMPRISING PH TUNEABLE AMIDO-GELLANTS, AND PROCESSES FOR MAKING THE PROCTER & GAMBLE COMPANY (US) 2011-09-15 WO disclosed
WO-2011112886-A1 FLUID DETERGENT COMPOSITIONS COMPRISING A DI-AMIDO GELLANT, AND PROCESSES FOR MAKING THE PROCTER & GAMBLE COMPANY (US) 2011-09-15 WO disclosed