SCHEMBL8848799

SCHEMBL8848799

CC(C)(C)C(=O)Oc1ccc(-c2nnn(COCc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
MAOB P27338 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ELANE P08246 1/20 0.45
THRB P10828 2/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8848722 0.86 RAB9A (0.65) LTA4HMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL8848741 0.84 MAOB (0.52) LTA4HMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL8848788 0.80 MEN1 (0.64) LTA4HNPC1RAB9AL3MBTL1MAPT
SCHEMBL8848700 0.80 SMN1; SMN2 (0.50) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8848545 0.80 RAB9A (0.52) NPC1RAB9AL3MBTL1ELANETHRB
SCHEMBL8849098 0.79 GHSR (0.45) LTA4HMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL8848575 0.78 MAOB (0.54) LTA4HMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL8848678 0.78 RAB9A (0.53) NPC1RAB9AL3MBTL1ELANETHRB
SCHEMBL8849336 0.78 TSHR (0.47) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8848626 0.77 LMNA (0.55) NPC1RAB9AL3MBTL1ELANETHRB

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