SCHEMBL3933571

SCHEMBL3933571

CCN(CC)c1cc2cc3ccccc3cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.47
NR3C1 P04150 2/20 0.47
AR P10275 2/20 0.47
ELANE P08246 2/20 0.47
CYP19A1 P11511 1/20 0.47
MEN1 O00255 7/20 0.46
MAPT P10636 7/20 0.46
KMT2A Q03164 7/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 3/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MAOB P27338 3/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL145996 0.87 SMN1; SMN2 (0.51) PGRNR3C1ARELANECYP19A1
SCHEMBL2030045 0.78 CYP19A1 (0.75) CYP19A1MEN1MAPTKMT2AKDM4E
SCHEMBL407381 0.77 MAOB (0.50) PGRNR3C1ARMEN1KMT2A
Thiourea SCHEMBL6715523 0.77 SMN1; SMN2 (0.46) PGRNR3C1ARMEN1MAPT
SCHEMBL31383405 0.77 GLA (0.60) CYP19A1MEN1MAPTKMT2AKDM4E
Iodoacetamide SCHEMBL2218893 0.76 SMN1; SMN2 (0.48) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL13869332 0.74 CYP19A1 (0.70) CYP19A1MEN1MAPTKMT2AKDM4E
SCHEMBL28180663 0.73 MEN1 (0.44) PGRNR3C1ARCYP19A1MEN1
SCHEMBL17083899 0.73 HSD17B3 (0.56) ELANEMAPTKDM4EALDH1A1HPGD
SCHEMBL13869439 0.73 CYP19A1 (0.68) CYP19A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044638-A2 CATHODE COATING Merck Patent GmbH (DE) 2009-04-08 EP disclosed
WO-2008012581-A2 CATHODE COATING MERCK PATENT GMBH (DE) 2008-01-31 WO disclosed