SCHEMBL4597773

SCHEMBL4597773

CCCCOC(=O)NC(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
ATM Q13315 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 5/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMEL1 Q495T6 1/20 0.43
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL11491274 0.86 ATM (0.60) ATMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL1461981 0.86 ATM (0.60) ATMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5500456 0.83 MMEL1 (0.48) EPHX2RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5500451 0.79 CTSL (0.50) EPHX2MMEL1
SCHEMBL1553456 0.78 FOLH1 (0.51) ATMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3644580 0.78 L3MBTL1 (0.52) ATMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL7457166 0.78 EPHX2 (0.43) EPHX2RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5576749 0.77 S1PR3 (0.55) ATMKEAP1NFE2L2CTSK
SCHEMBL30370359 0.77 S1PR3 (0.55) ATMKEAP1NFE2L2CTSK
SCHEMBL219211 0.77 S1PR3 (0.55) ATMKEAP1NFE2L2CTSK

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