SCHEMBL4597509

SCHEMBL4597509

Cc1cccc([C@@](I)(CO)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RORC P51449 2/20 0.36
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
KIF11 P52732 3/20 0.35
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
JAK2 O60674 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3710918 0.87 CTSS (0.41) LMNARXFP1POLBAAK1HPGD
SCHEMBL4595970 0.87 CTSL (0.41) HPGDRORCMAPTAKT1KDM4E
SCHEMBL17018582 0.81 CYP2C19 (0.44) LMNARXFP1POLBAAK1HPGD
SCHEMBL4597866 0.76 AAK1 (0.40) AAK1MAPTAKT1
SCHEMBL4553418 0.73 GPR119 (0.39) LMNARXFP1POLBKMT2AMEN1
SCHEMBL24944947 0.73 EPAS1 (0.39) AAK1GAA
SCHEMBL29770797 0.71 CA12 (0.44) KMT2AMEN1ATMAKT1GAA
SCHEMBL3726743 0.70 GAA (0.42) LMNARXFP1POLBKMT2AMEN1
SCHEMBL19879722 0.70 CTSL (0.39) MAPTAKT1KDM4EGAAPKM
SCHEMBL10216897 0.70 RXFP1 (0.48) RXFP1POLBKMT2AMEN1RORC

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