SCHEMBL5808206

SCHEMBL5808206

C[CH]C(=O)OCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP3 P42574 3/20 0.49
SENP8 Q96LD8 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
SENP6 Q9GZR1 3/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 5/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 2/20 0.46
PKM P14618 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL5176152 0.87 MAPT (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL11743721 0.87 MAPT (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL7089089 0.86 L3MBTL1 (0.53) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL7086104 0.86 L3MBTL1 (0.53) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9064620 0.86 L3MBTL1 (0.53) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL961210 0.83 L3MBTL1 (0.50) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL2659085 0.80 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL27966346 0.80 HCAR2 (0.63) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL984297 0.80 L3MBTL1 (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9815841 0.80 L3MBTL1 (0.57) RAB9AMAPTL3MBTL1CASP3SENP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed