SCHEMBL19634744

SCHEMBL19634744

COCC(=O)OCCNC(=O)c1cccc(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.54
LOX P28300 4/20 0.54
HTR2C P28335 1/20 0.46
CFD P00746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ROCK2 O75116 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 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
SCHEMBL19634293 0.88 LOXL2 (0.65) LOXL2LOXHTR2CCFDALDH1A1
SCHEMBL19634424 0.87 LOXL2 (0.52) LOXL2LOXALDH1A1HPGDNPC1
SCHEMBL19634811 0.86 ROCK2 (0.50) ALDH1A1HPGDSMN1; SMN2MRGPRX4ROCK2
SCHEMBL19634711 0.85 MEN1 (0.56) LOXL2LOXHTR2CCFDALDH1A1
SCHEMBL23471115 0.83 CHRM2 (0.52) ALDH1A1HPGDSMN1; SMN2MRGPRX4ROCK2
SCHEMBL21015345 0.83 ROCK2 (0.47) ALDH1A1HPGDSMN1; SMN2MRGPRX4ROCK2
SCHEMBL7022389 0.78 LOXL2 (0.54) LOXL2LOXALDH1A1HPGDSMN1; SMN2
SCHEMBL19634726 0.78 LOXL2 (0.63) LOXL2LOXHTR2CCFDALDH1A1
SCHEMBL8284791 0.76 HPGD (0.57) LOXL2LOXALDH1A1HPGDSMN1; SMN2
SCHEMBL23471233 0.76 MRGPRX4 (0.60) LOXL2LOXALDH1A1HPGDSMN1; SMN2

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed