SCHEMBL9574271

SCHEMBL9574271

COc1ccc(CCOCCCCCCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CALM1 P0DP23 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 2/20 0.42
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
IDO1 P14902 1/20 0.40
F2RL1 P55085 1/20 0.40
CHRM2 P08172 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL9764497 1.00 TDP1 (0.55) TDP1L3MBTL1CALM1TAAR1NPC1
SCHEMBL7230240 0.98 TDP1 (0.53) TDP1L3MBTL1CALM1TAAR1NPC1
SCHEMBL9574168 0.93 TDP1 (0.59) TDP1L3MBTL1CALM1TAAR1MAOB
SCHEMBL9574323 0.93 TDP1 (0.63) TDP1L3MBTL1CALM1TAAR1SMN1; SMN2
SCHEMBL7228686 0.93 TDP1 (0.50) TDP1L3MBTL1CALM1TAAR1NPC1
SCHEMBL4027553 0.86 TAAR1 (0.52) TDP1L3MBTL1CALM1TAAR1NPC1
SCHEMBL1355360 0.85 L3MBTL1 (0.65) TDP1L3MBTL1CALM1NPC1RAB9A
SCHEMBL27089918 0.85 L3MBTL1 (0.65) TDP1L3MBTL1CALM1NPC1RAB9A
SCHEMBL16727734 0.85 L3MBTL1 (0.65) TDP1L3MBTL1CALM1NPC1RAB9A
SCHEMBL6682756 0.84 CALM1 (0.58) TDP1L3MBTL1CALM1TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0162576-B1 ETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1989-07-26 EP disclosed
EP-0162576-A1 Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP disclosed