SCHEMBL4319657

SCHEMBL4319657

COC(=O)c1ccc(CC(C)NC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ACACB O00763 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP4A11 Q02928 2/20 0.49
CYP4F2 P78329 1/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 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
SCHEMBL4325972 0.85 ACACB (0.66) NPC1RAB9AACACBTDP1
SCHEMBL12001315 0.83 ACACB (0.59) ACACB
SCHEMBL5177245 0.81 LOXL2 (0.58) LOXL2NPC1RAB9ATDP1CYP4A11
SCHEMBL765010 0.81 LOXL2 (0.61) LOXL2TDP1CYP4A11CYP4F2TSHR
SCHEMBL23582892 0.80 LOXL2 (0.56) LOXL2RAB9ATDP1CYP4A11CYP4F2
SCHEMBL22751983 0.80 LOXL2 (0.56) LOXL2RAB9ATDP1CYP4A11CYP4F2
SCHEMBL13577833 0.80 LOXL2 (0.56) LOXL2RAB9ATDP1CYP4A11CYP4F2
SCHEMBL10187979 0.80 ACACB (0.78) ACACB
SCHEMBL8729705 0.80 NPC1 (0.58) NPC1RAB9AACACB
SCHEMBL11689625 0.80 NPC1 (0.58) NPC1RAB9AACACB

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed