SCHEMBL7510212

SCHEMBL7510212

O=C(CN(CCN(CCN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA4 P22748 3/20 0.46
LMNA P02545 1/20 0.42
CTRB1 P17538 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC15A1 P46059 1/20 0.39
LTA4H P09960 1/20 0.39
LAP3 P28838 1/20 0.39
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL7505929 0.88 LTA4H (0.45) CA1CA2CA4LMNAMAPK1
SCHEMBL8390854 0.87 ITGB3 (0.49) CA1CA2CA4L3MBTL1LTA4H
SCHEMBL7948959 0.87 ALOX5 (0.46) CA1CA2CA4LMNAL3MBTL1
SCHEMBL13535120 0.81 LMNA (0.49) CA4LMNACTRB1ALDH1A1MAPK1
SCHEMBL339168 0.80 ALDH1A1 (0.61) CA1CA2CA4LMNAALDH1A1
SCHEMBL7511620 0.76 CTSS (0.40) CA1CA2CA4CTSSCTSK
SCHEMBL3093075 0.76 CA1 (0.68) CA1CA2CA4LMNAALDH1A1
SCHEMBL13589983 0.76 CA1 (0.68) CA1CA2CA4LMNAALDH1A1
SCHEMBL7950550 0.76 CA1 (0.41) CA1CA2CA4LMNAALDH1A1
SCHEMBL7438541 0.75 CTRB1 (0.49) LMNACTRB1ALDH1A1MAPK1L3MBTL1

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-1170021-A2 Conjugates of peptides and lanthanid-chelates for fluorescencediagnostic Shering Aktiengesellschaft (DE) 2002-01-09 EP disclosed
US-6254850-B1 POLYCARBOXYALKYLAMINOALKANES FOR COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
EP-0810989-B1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-08-04 EP disclosed
EP-0775104-B1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-05-06 EP disclosed