SCHEMBL3907367

SCHEMBL3907367

COc1ccc(S(=O)(=O)Cl)c(OC)c1-c1c(C(=O)O)c2ccccc2[n+](C)c1-c1ccccc1.O=S(=O)([O-])F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 12/20 0.35
ACLY P53396 4/20 0.34
ACHE P22303 2/20 0.31
FABP5 Q01469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3907369 1.00 FABP4 (0.35) FABP4ACLYACHEFABP5KDM4E
SCHEMBL3896152 0.78 PLA2G2A (0.34) FABP4ACLYACHEKDM4EALDH1A1
SCHEMBL3899652 0.74 ACLY (0.36) FABP4ACLYACHEFABP5ALDH1A1
SCHEMBL3907870 0.72 PLK1 (0.34) FABP4ACLYACHEKDM4EALDH1A1
SCHEMBL3896155 0.71 ACHE (0.35) FABP4ACLYACHEKDM4EMEN1
SCHEMBL8997331 0.70 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8997349 0.70 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1KMT2A
SCHEMBL10516081 0.66 FABP4 (0.35) FABP4KDM4EMEN1ALDH1A1POLB
SCHEMBL3902038 0.66 ESR1 (0.36) ACHEMEN1ALDH1A1POLBGAA
SCHEMBL3898772 0.66 ACHE (0.32) ACHE

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-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed