SCHEMBL11695352

SCHEMBL11695352

CCN(CC)c1ccc(C=O)c(NC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 9/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ESRRG P62508 2/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SNCA P37840 1/20 0.45

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
SCHEMBL11698881 0.84 ALDH1A1 (0.51) GFERSMN1; SMN2MAPTLMNAMEN1
SCHEMBL26418339 0.83 GFER (0.62) GFERCYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL22081629 0.83 GFER (0.55) GFERCYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL11844854 0.83 SNCA (0.40) GFERCYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL11695579 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL28568397 0.78 KCNMA1 (0.66) GFERCYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL11698115 0.78 ALDH1A1 (0.51) GFERSMN1; SMN2MAPTLMNAMEN1
SCHEMBL12121363 0.77 GFER (0.44) GFERCYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL14428369 0.77 MEN1 (0.50) CYP2C19SMN1; SMN2CYP1A2MAPTMEN1
SCHEMBL14428398 0.76 MEN1 (0.53) CYP2C19SMN1; SMN2CYP1A2MAPTMEN1

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-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed