SCHEMBL12474159

SCHEMBL12474159

CC[C@H](C)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
FFAR1 O14842 1/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP19A1 P11511 4/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PIN1 Q13526 2/20 0.43
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42

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
SCHEMBL12473681 0.89 POLB (0.53) POLBCTSVCTSLFFAR1MEN1
SCHEMBL27481727 0.86 CTSV (0.54) POLBCTSVCTSLFFAR1MEN1
SCHEMBL10554925 0.86 CTSV (0.54) POLBCTSVCTSLFFAR1MEN1
SCHEMBL24061314 0.86 POLB (0.54) POLBCTSVCTSLFFAR1MEN1
SCHEMBL23130372 0.84 LMNA (0.49) POLBFFAR1MEN1MAPTKMT2A
SCHEMBL28809924 0.82 CTSV (0.50) POLBCTSVCTSLFFAR1MEN1
SCHEMBL12447028 0.82 MAPT (0.51) POLBMEN1MAPTKMT2ACYP19A1
SCHEMBL19425423 0.80 TUBB4A (0.49) POLBMEN1MAPTKMT2A
SCHEMBL27468142 0.80 CTSV (0.53) POLBCTSVCTSLFFAR1MEN1
SCHEMBL11819643 0.79 POLB (0.46) POLBCTSVCTSLFFAR1MEN1

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-2348013-A1 Process for preparation of intermediates of arformoterol INKE, S.A. (ES) 2011-07-27 EP disclosed