SCHEMBL4596148

SCHEMBL4596148

CC(C)(C)OC(=O)N[C@](I)(CNC1CCCCC1)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 3/20 0.38
EPHX1 P07099 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.36
CACNA1B Q00975 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
STS P08842 1/20 0.35
CTSL P07711 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
SCHEMBL4595970 0.80 CTSL (0.41) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL19879722 0.74 CTSL (0.39) MAPTCTSL
SCHEMBL5576653 0.72 BCHE (0.45) EPHX2NPC1RAB9ACACNA1BCTSL
SCHEMBL29949477 0.70 CTSL (0.42) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL26257358 0.70 CTSL (0.42) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL25399092 0.70 CTSL (0.42) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL19731493 0.69 CTSL (0.42) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL24944766 0.69 CTSL (0.42) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL25402601 0.69 CTSL (0.48) CTSL
SCHEMBL29949243 0.69 CTSL (0.41) MAPTHPGDSMN1; SMN2CTSL

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