SCHEMBL8848828

SCHEMBL8848828

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8848588 0.99 LTA4H (0.48) LTA4HTSHRMAPK1L3MBTL1LMNA
SCHEMBL8848575 0.90 MAOB (0.54) LTA4HTSHRLMNAALDH1A1MAOB
SCHEMBL8848534 0.87 LTA4H (0.60) LTA4HTSHRMAPK1L3MBTL1LMNA
SCHEMBL8848714 0.84 HSD17B10 (0.51) LTA4HTSHRMAPK1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8848858 0.83 LTA4H (0.62) LTA4HTSHRLMNAALDH1A1NPC1
SCHEMBL8848642 0.82 HSD17B10 (0.52) LTA4HTSHRMAPK1L3MBTL1LMNA
SCHEMBL8848904 0.82 SMN1; SMN2 (0.47) LTA4HTSHRMAPK1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8848620 0.81 LMNA (0.46) LTA4HTSHRMAPK1L3MBTL1LMNA
SCHEMBL8848788 0.81 MEN1 (0.64) LTA4HTSHRL3MBTL1LMNAALDH1A1
SCHEMBL8848741 0.81 MAOB (0.52) LTA4HL3MBTL1MAOBNPC1RAB9A

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 2 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 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