SCHEMBL27720152

SCHEMBL27720152

CC(C)(C)NC(=O)OCCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
ANO1 Q5XXA6 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.42
MGLL Q99685 1/20 0.42
RIPK1 Q13546 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAOB P27338 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL27627079 0.86 HCAR2 (0.52) ANO1KMT2AALDH1A1MEN1HPGD
SCHEMBL28776560 0.84 TYR (0.53) TAAR1ANO1MGLL
SCHEMBL30898243 0.84 MGLL (0.43) SMN1; SMN2NPC1RAB9AMGLL
SCHEMBL27718558 0.83 TAAR1 (0.45) TAAR1ALDH1A1NPC1RAB9AMGLL
SCHEMBL27832828 0.83 LOXL2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMGLL
SCHEMBL27787225 0.83 MAOA (0.42) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL23630606 0.82 NPC1 (0.55) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL27718552 0.80 CNR1 (0.43) SMN1; SMN2RAB9ACNR1MGLL
SCHEMBL13667239 0.79 MAOB (0.49) TAAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27809141 0.79 CYP2D6 (0.47) KMT2AMEN1SMN1; SMN2RAB9ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101300239-A 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN disclosed