SCHEMBL6990072

SCHEMBL6990072

CC(C)(C)OC(=O)NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1.NC(=O)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GLS O94925 2/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM2 Q14416 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ACACB O00763 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACACA Q13085 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL5204542 0.95 L3MBTL1 (0.42) L3MBTL1GLSBRD4ALDH1A1LMNA
SCHEMBL6996710 0.83 NPC1 (0.43) L3MBTL1ALDH1A1LMNANPSR1SIRT2
SCHEMBL5209066 0.81 CYP2D6 (0.49) GLSALDH1A1LMNACYP3A4CYP2C9
SCHEMBL5214004 0.79 HDAC1 (0.45) GLSBRD4NR1H4
SCHEMBL5207728 0.78 NPC1 (0.43) L3MBTL1ALDH1A1LMNASIRT2SIRT1
SCHEMBL7431095 0.76 HDAC1 (0.38) GLSBRD4RAB9ANR1H4NPC1
Trifluoroacetic Acid SCHEMBL5211180 0.76 NPC1 (0.39) L3MBTL1ALDH1A1LMNASIRT2SIRT1
SCHEMBL6993286 0.74 NPC1 (0.37) L3MBTL1ALDH1A1SIRT2SIRT1SIRT3
SCHEMBL6992189 0.74 CYP2D6 (0.47) ALDH1A1LMNACYP3A4CYP2C9RAB9A
SCHEMBL5207716 0.72 MEN1 (0.37) GLSALDH1A1LMNAPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed