SCHEMBL3898776

SCHEMBL3898776

Cc1ccc2c(C(=O)O)c3c(-c4ccccc4)c(C)c(S(=O)(=O)Cl)cc3[n+](C)c2c1.O=S(=O)([O-])F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 2/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AGTR1 P30556 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 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
SCHEMBL3904672 0.89 ACHE (0.32) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL3907425 0.83 ALDH1A1 (0.36) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL3896155 0.82 ACHE (0.35) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL9426552 0.75 ACHE (0.43) ALDH1A1HPGDACHEAGTR1FABP3
SCHEMBL9426554 0.75 ACHE (0.43) ALDH1A1HPGDACHEAGTR1FABP3
SCHEMBL3904727 0.74 TDP1 (0.34) KDM4EMEN1ALDH1A1HPGDHTT
SCHEMBL3907877 0.71 TUBB4A (0.35) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL9426179 0.69 DHODH (0.32) DHODH
SCHEMBL9426184 0.69 DHODH (0.32) DHODH
SCHEMBL8997331 0.67 ACHE (0.44) KDM4EMEN1ALDH1A1HPGDKMT2A

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