SCHEMBL8957571

SCHEMBL8957571

CCCCCCCCCCCCCCCCC(CO)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 4/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL27654863 1.00 KMT2A (0.45) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL7381122 0.94 ALDH1A1 (0.42) KMT2AKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL10580276 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10580092 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL30954271 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10580574 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10583531 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10580858 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10580483 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1
SCHEMBL10579678 0.91 KDM4E (0.46) KMT2AKDM4EL3MBTL1CYSLTR2CYSLTR1

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-0461392-B1 Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1996-01-10 EP disclosed
US-5302346-A Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1994-04-12 US disclosed
US-5211914-A TEST CARRIER FOR THE DETERMINATION OF IONS BOEHRINGER MANNHEIM GMBH (DE) 1993-05-18 US disclosed
EP-0461392-A2 Test carrier for the determination of ions Roche Diagnostics GmbH (DE) 1991-12-18 EP disclosed