SCHEMBL8770357

SCHEMBL8770357

CCCCOc1ccccc1CC(N)CNCCNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
TLR2 O60603 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
ANPEP P15144 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8770412 0.91 SMN1; SMN2 (0.46) L3MBTL1MAPTLMNASMN1; SMN2TDP1
SCHEMBL8666808 0.81 ITGB3 (0.46) L3MBTL1MAPTTDP1KDM4ECTSL
SCHEMBL8770584 0.79 CYP1A2 (0.44) L3MBTL1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8668133 0.76 SIRT2 (0.52) MAPTLMNACTSLCTSSALDH1A1
SCHEMBL8669583 0.76 CTRB1 (0.49) L3MBTL1MAPTSMN1; SMN2TDP1CTSL
SCHEMBL16903401 0.76 LMNA (0.51) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL30829556 0.76 HTT (0.59) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL30829559 0.74 LMNA (0.63) L3MBTL1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL8669072 0.74 LMNA (0.56) L3MBTL1MAPTLMNASMN1; SMN2TDP1
SCHEMBL30829573 0.74 TGM2 (0.57) L3MBTL1MAPTLMNASMN1; SMN2HTT

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-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
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