SCHEMBL4598146

SCHEMBL4598146

Cc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
CTSK P43235 2/20 0.38
PPARA Q07869 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
SCHEMBL25130919 0.86 TSHR (0.46) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL4597214 0.84 TSHR (0.45) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL6678343 0.83 ESR1 (0.40) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL17041300 0.82 TSHR (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL4596352 0.81 ATM (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL3820956 0.81 ATM (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL29824350 0.78 HTT (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL28880398 0.78 HTT (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL15336461 0.78 HTT (0.43) TSHRHSD17B10KMT2AMAPTATM
SCHEMBL4381767 0.77 ATM (0.44) TSHRHSD17B10KMT2AMAPTATM

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed