SCHEMBL15034616

SCHEMBL15034616

COc1ccc(N2CCOCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
PRKDC P78527 5/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP2 O95551 1/20 0.40
CYP2C19 P33261 1/20 0.38
APP P05067 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL15034612 0.83 ALDH1A1 (0.43) ARALDH1A1MAPTKMT2AMEN1
SCHEMBL15034614 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL7860579 0.76 AR (0.56) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL10332004 0.73 AR (0.53) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL10331336 0.71 PRKDC (0.62) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL3127062 0.70 AR (0.50) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL17014794 0.70 AR (0.63) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL1432800 0.69 ALDH1A1 (0.55) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL28120170 0.69 AR (0.53) ARPRKDCALDH1A1KDM4EALOX12
SCHEMBL12744055 0.69 SMN1; SMN2 (0.45) ARALDH1A1KDM4EMAPTKMT2A

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
US-20130157191-A1 TONER FOR ELECTROPHOTOGRAPHY AND IMAGE-FORMING METHOD KONICA MINOLAT BUSINESS TECHNOLOGIES, INC. (JP) 2013-06-20 US disclosed