SCHEMBL7595591

SCHEMBL7595591

CC(C)(C)OC(=O)CN(CCO)[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN1A P35498 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 2/20 0.38
CTSS P25774 4/20 0.37

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
SCHEMBL8088177 0.91 ATM (0.39) ITGA4ITGB7ATMMEN1LMNA
SCHEMBL7601470 0.89 AKT1 (0.42) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL7666444 0.89 ATM (0.40) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL6429868 0.86 PPARA (0.43) MEN1LMNACYP3A4CYP2D6ALOX15
SCHEMBL7597534 0.85 ITGA4 (0.52) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL7597532 0.85 ITGA4 (0.52) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL8874523 0.85 ITGA4 (0.40) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL8335478 0.82 ITGA4 (0.41) ITGA4ITGB7MAPTTDP1CTSS
SCHEMBL25798363 0.81 ITGA4 (0.44) ITGA4ITGB7MAPTTDP1ATM
SCHEMBL8397586 0.81 AKT1 (0.43) ITGA4ITGB7ATMCTSSCTSL

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
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP disclosed
US-6403055-B1 CARBOXYLATED POLYAMINE COMPOUND DIBRA S.P.A. (IT) 2002-06-11 US disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed