SCHEMBL3896155

SCHEMBL3896155

COc1ccc2c(C(=O)O)c3c(-c4ccccc4)c(OC)c(S(=O)(=O)Cl)cc3[n+](C)c2c1.O=S(=O)([O-])F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
MAPK8 P45983 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL3907877 0.90 TUBB4A (0.35) ACHEFABP3FABP4TUBB4ATUBB
SCHEMBL3898776 0.82 DHODH (0.33) ACHEFABP3FABP4ALDH1A1KDM4E
SCHEMBL3907425 0.73 ALDH1A1 (0.36) ACHEFABP3FABP4ALDH1A1KDM4E
SCHEMBL3904672 0.71 ACHE (0.32) ACHEMAPK8ALDH1A1KDM4EHPGD
SCHEMBL3907369 0.71 FABP4 (0.35) ACHEFABP4ALDH1A1KDM4EMEN1
SCHEMBL3907367 0.71 FABP4 (0.35) ACHEFABP4ALDH1A1KDM4EMEN1
SCHEMBL9426554 0.68 ACHE (0.43) ACHEFABP3FABP4ALDH1A1TSHR
SCHEMBL9426552 0.68 ACHE (0.43) ACHEFABP3FABP4ALDH1A1TSHR
SCHEMBL8997349 0.64 ACHE (0.44) ACHEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8997331 0.64 ACHE (0.44) ACHEALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP claimed
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
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
US-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US 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
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 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