SCHEMBL5031878

SCHEMBL5031878

O=C1NC(c2ccccc2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
NOS1 P29475 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PRCP P42785 1/20 0.34
MEN1 O00255 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3652713 0.82 DGAT1 (0.38) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL4563 0.81 SMN1; SMN2 (0.42) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL445133 0.81 SMN1; SMN2 (0.42) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL4562 0.81 SMN1; SMN2 (0.42) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL16106147 0.81 SMN1; SMN2 (0.42) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL2909384 0.79 AR (0.41) CA2SMN1; SMN2BRD4KMT2AALDH1A1
SCHEMBL30712604 0.78 CA2 (0.38) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL2933208 0.78 ALDH1A1 (0.36) NOS1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30712598 0.78 CA2 (0.38) CA2SMN1; SMN2BRD4KMT2AKDM4E
SCHEMBL5037970 0.73 L3MBTL1 (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1GAA

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-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed