SCHEMBL1920895

SCHEMBL1920895

NN(Cc1ccccc1)C([O])=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CA2 P00918 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
MEN1 O00255 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
SCHEMBL258776 0.86 AOC3 (0.54) AOC3NPC1RAB9ACA12CA9
SCHEMBL29851956 0.84 AOC3 (0.52) AOC3NPC1RAB9ACA12CA9
Hydrazine SCHEMBL8651254 0.84 AOC3 (0.52) AOC3NPC1RAB9ACA12CA9
SCHEMBL11693547 0.84 NPC1 (0.53) AOC3NPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL10536523 0.84 AOC3 (0.52) AOC3NPC1RAB9ACA12CA9
SCHEMBL3188486 0.83 AOC3 (0.50) AOC3NPC1RAB9ACA12CA9
SCHEMBL10416109 0.81 AOC3 (0.54) AOC3NPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL27460406 0.81 AOC3 (0.48) AOC3NPC1RAB9ACA12CA9
SCHEMBL10782311 0.79 NPC1 (0.48) AOC3NPC1RAB9ACA12CA9
SCHEMBL28152910 0.79 HSD11B1 (0.53) AOC3NPC1KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057614-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES Psma Development Company, L.L.C. (US) 2016-08-24 EP disclosed
WO-2015057250-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2015-04-23 WO disclosed
EP-2326350-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS Psma Development Company, L.L.C. (US) 2011-06-01 EP disclosed
WO-2010027513-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEVELOPMENT COMPANY, LLC (US) 2010-03-11 WO disclosed
EP-1912677-A2 PSMA ANTIBODY-DRUG CONJUGATES Psma Development Company, L.L.C. (US) 2008-04-23 EP disclosed
WO-2007002222-A2 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2007-01-04 WO disclosed