SCHEMBL4657172

SCHEMBL4657172

Cc1ccc(Cl)c(OC=CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL4657171 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL4657188 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL4657184 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL17513207 0.77 MAPT (0.55) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL19378088 0.77 MAPT (0.55) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL17513208 0.77 MAPT (0.55) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL11194302 0.74 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL4991926 0.72 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL4991934 0.72 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL4431736 0.72 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1

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-1996589-A1 CHROMANE DERIVATIVES RaQualia Pharma Inc (JP) 2008-12-03 EP disclosed
WO-2007107827-A1 CHROMANE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2007-09-27 WO disclosed