SCHEMBL8848732

SCHEMBL8848732

CC(C)(C)C(=O)Oc1ccc(-c2nnn(Cc3ccncc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HDAC6 Q9UBN7 4/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 1/20 0.46
ELANE P08246 2/20 0.45
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8848545 0.89 RAB9A (0.52) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848722 0.89 RAB9A (0.65) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848405 0.88 NPC1 (0.64) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848574 0.88 HDAC6 (0.64) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848839 0.87 HDAC6 (0.60) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848554 0.87 RAB9A (0.50) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848678 0.87 RAB9A (0.53) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848771 0.86 RAB9A (0.52) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848821 0.86 HDAC6 (0.54) RAB9ANPC1L3MBTL1HDAC6LMNA
SCHEMBL8848549 0.85 TP53 (0.52) RAB9ANPC1L3MBTL1HDAC6LMNA

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
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed