SCHEMBL3898412

SCHEMBL3898412

COc1cccc(OC)c1-c1cccc2nc3ccccc3c(C(=O)O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
ALOX15 P16050 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
DHODH Q02127 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GUSB P08236 1/20 0.45
PDE10A Q9Y233 1/20 0.44
TACR3 P29371 1/20 0.44
C1R P00736 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3895829 0.93 RAB9A (0.52) RAB9ANPC1CDK9DYRK1AALOX15
SCHEMBL3895849 0.93 RAB9A (0.52) RAB9ANPC1CDK9DYRK1AALOX15
SCHEMBL10516077 0.81 NPC1 (0.50) RAB9ANPC1CDK9DYRK1AALOX15
SCHEMBL10476973 0.79 DHODH (0.54) RAB9ANPC1DHODHKMT2AMEN1
SCHEMBL4012934 0.78 KMT2A (0.54) RAB9ANPC1KMT2AMEN1PDE10A
SCHEMBL13223636 0.77 NPC1 (0.59) RAB9ANPC1CDK9DYRK1AALOX15
SCHEMBL3737884 0.77 NPC1 (0.56) RAB9ANPC1ALOX15CA12CA1
SCHEMBL3904685 0.77 PDE10A (0.46) RAB9ANPC1DHODHKMT2AMEN1
SCHEMBL3902045 0.76 LMNA (0.68) RAB9ANPC1ALOX15CA12CA1
SCHEMBL7049387 0.76 DHODH (0.51) RAB9ANPC1DHODHKMT2AMEN1

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 7 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
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed