SCHEMBL1849609

SCHEMBL1849609

O=C(NCc1cccc(OCCC2CCCO2)c1)N1CC=CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
ROCK2 O75116 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL3608832 0.77 ROCK1 (0.52) ROCK2ROCK1
SCHEMBL3601935 0.77 TNIK (0.42) ROCK2ROCK1
SCHEMBL3595639 0.77 CDK9 (0.46) ALDH1A1ROCK2ROCK1
SCHEMBL1849606 0.72 ACACB (0.38) LMNAALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL26995259 0.67 ACACB (0.44) LMNAHPGDHTT
SCHEMBL26985869 0.67 ACACB (0.44) LMNAHPGDHTT
SCHEMBL611142 0.67 ACACB (0.44) LMNAHPGDHTTPKMSMN1; SMN2
SCHEMBL612470 0.67 KCNH2 (0.43) LMNAHPGDHTT
SCHEMBL10235919 0.65 CNR1 (0.43) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL7986405 0.65 KDM4E (0.55) LMNAHTTF2PRSS1HRH3

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
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed