SCHEMBL3907425

SCHEMBL3907425

Cc1ccc2c(C(=O)O)c3c(-c4ccccc4)c(C)ccc3[n+](C)c2c1.O=S(=O)([O-])F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ACHE P22303 5/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AGTR1 P30556 1/20 0.34
PTGS2 P35354 2/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FABP3 P05413 1/20 0.31
FABP4 P15090 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
SCHEMBL3898776 0.83 DHODH (0.33) ALDH1A1ACHEHTTMEN1KMT2A
SCHEMBL3904727 0.82 TDP1 (0.34) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL9426552 0.77 ACHE (0.43) ALDH1A1ACHEHPGDAGTR1MAPT
SCHEMBL9426554 0.77 ACHE (0.43) ALDH1A1ACHEHPGDAGTR1MAPT
SCHEMBL3907426 0.74 MYC (0.41) ALDH1A1ACHEHTTKMT2AMAPT
SCHEMBL3896155 0.73 ACHE (0.35) ALDH1A1LMNAACHEMEN1KMT2A
SCHEMBL8975328 0.72 ACHE (0.40) ACHEAGTR1PTGS2RAB9A
SCHEMBL8975331 0.72 ACHE (0.40) ACHEAGTR1PTGS2RAB9A
SCHEMBL3904672 0.71 ACHE (0.32) ALDH1A1ACHEHTTMEN1KMT2A
SCHEMBL8997331 0.70 ACHE (0.44) ALDH1A1ACHEMEN1KMT2AKDM4E

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-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