SCHEMBL8770412

SCHEMBL8770412

CCOc1ccccc1CC(N)CNCCNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
HTT P42858 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ANPEP P15144 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
POLB P06746 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TGM2 P21980 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
SCHEMBL8770357 0.91 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL8669072 0.83 LMNA (0.56) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL8668743 0.81 SYK (0.45) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL8669070 0.79 CTRB1 (0.46) SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL8770313 0.76 ALDH1A1 (0.51) L3MBTL1MAPTALDH1A1KDM4EPOLB
SCHEMBL16903401 0.76 LMNA (0.51) SMN1; SMN2L3MBTL1MAPTLMNASLC1A3
SCHEMBL21338348 0.75 LMNA (0.63) SMN1; SMN2L3MBTL1MAPTLMNASLC1A3
SCHEMBL8668738 0.74 CTRB1 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL8668099 0.74 MEN1 (0.54) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL7364819 0.73 LMNA (0.65) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA

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-0794800-A1 USE OF CHELATE COMPOUNDS AS DIAGNOSTIC AGENTS IN THE X-RAY EXAMINATION OF LIVER AND BILE DUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
EP-0794799-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
WO-1996016677-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed
WO-1996016678-A1 USE OF CHELATE COMPOUNDS AS DIAGNOSTIC AGENTS IN THE X-RAY EXAMINATION OF LIVER AND BILE DUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed