SCHEMBL8829295

SCHEMBL8829295

CC(C)c1cc(C(C)C)n2ccncc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FABP4 P15090 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RPS6KA3 P51812 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL27112071 0.70
SCHEMBL27112069 0.69 FABP3 (0.32) FABP4
SCHEMBL4546564 0.67 GAA (0.33) KDM4EMAPTGAAALOX15CASP1
SCHEMBL21863357 0.67 DYRK1A (0.33) ALOX15FABP4RPS6KA3ALOX5
SCHEMBL6842155 0.67 EPHB3 (0.35) FABP4
SCHEMBL18237697 0.67 IDO1 (0.32) KDM4EMAPTGAAMEN1POLB
SCHEMBL25061697 0.66 TNK2 (0.40)
SCHEMBL21863531 0.64 MAPT (0.36) KDM4EMAPTGAAMEN1POLB
SCHEMBL27112065 0.64
SCHEMBL15635535 0.63 MAPT (0.33) KDM4EMAPTGAAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593984-A Cephalosporin derivatives YUHAN CORPORATION (KR) 1997-01-14 US disclosed
EP-0662973-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 1995-07-19 EP disclosed
WO-1994007898-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1994-04-14 WO disclosed