SCHEMBL7985994

SCHEMBL7985994

O=C(CCC(=O)N(O)c1ccccc1)N(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
ALOX5 P09917 3/20 0.44
GLA P06280 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
PAX8 Q06710 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27829156 0.87 TP53 (0.65) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL8197064 0.87 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL836541 0.86 ALOX5 (0.64) ALDH1A1HTTKMT2ASMN1; SMN2ALOX5
SCHEMBL27855866 0.85 NPC1 (0.38) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL836988 0.84 TP53 (0.51) ALDH1A1NPC1RAB9ATP53ALOX5
SCHEMBL6555681 0.84 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL27534539 0.84 KMT2A (0.49) ALDH1A1NPC1HTTKMT2ATSHR
SCHEMBL7361357 0.84 SMN1; SMN2 (0.69) ALDH1A1POLBKMT2ATP53SMN1; SMN2
SCHEMBL155509 0.82 ALOX5 (0.44) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL5496043 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed