SCHEMBL6820308

SCHEMBL6820308

CC(=O)Nc1ccc(NC(=O)CCC=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A1 P04798 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL6820003 0.86 POLB (0.64) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL6820154 0.82 ALDH1A1 (0.60) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL6462546 0.82 HDAC3 (0.58) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL8582253 0.81 L3MBTL1 (0.62) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL6173694 0.81 CYP1A1 (0.70) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL20608165 0.81 KMT2A (0.65) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL5685344 0.81 NPC1 (0.46) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL10441109 0.81 CYP1A2 (0.54) ALDH1A1MAPTCYP1A1CA12CA1
SCHEMBL22004479 0.79 HDAC1 (0.60) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL12269255 0.79 CYP1A1 (0.45) L3MBTL1CYP1A1TP53POLBKDM4E

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-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO disclosed