SCHEMBL8076154

SCHEMBL8076154

CC(=O)OC(CBr)CCCCCCCCCN1CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 3/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
GFER P55789 1/20 0.34
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL25985239 0.80 SMN1; SMN2 (0.45) GAASMN1; SMN2RAB9AKMT2AL3MBTL1
SCHEMBL8072335 0.79 HRH3 (0.43) SMN1; SMN2KMT2A
SCHEMBL10974437 0.76 PIK3CD (0.44) RAB9AKMT2AL3MBTL1PIK3CD
SCHEMBL10977910 0.74 PIK3CD (0.45) RAB9AKMT2AL3MBTL1NPC1PIK3CD
SCHEMBL8015523 0.74 PIK3CD (0.45) RAB9AKMT2ANPC1GFERPIK3CD
SCHEMBL25633842 0.74 KMT2A (0.43) GAASMN1; SMN2RAB9AKMT2AL3MBTL1
SCHEMBL628723 0.73 PIK3CD (0.50) RAB9AKMT2AL3MBTL1PIK3CD
SCHEMBL9812335 0.73 PIK3CD (0.50) RAB9AKMT2AL3MBTL1PIK3CD
SCHEMBL10974005 0.72 PIK3CD (0.39) SMN1; SMN2RAB9AKMT2AL3MBTL1PIK3CD
SCHEMBL10978986 0.72 L3MBTL1 (0.41) SMN1; SMN2RAB9AKMT2AL3MBTL1PIK3CD

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-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 US disclosed