SCHEMBL11547009

SCHEMBL11547009

CC1(C)CC(N(C(=O)CC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
EZH2 Q15910 4/20 0.34
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL11547014 0.91 GAA (0.38) ALOX15HTTGAAKDM4EKMT2A
SCHEMBL9355007 0.83 GAA (0.38) ALOX15HTTGAAKDM4EKMT2A
SCHEMBL9354706 0.79 GAA (0.36) ALOX15HTTGAAKDM4EKMT2A
SCHEMBL9350995 0.77 ALOX15 (0.41) ALOX15HTTGAAPOLBEZH2
SCHEMBL8495893 0.76 GAA (0.34) ALOX15GAAKMT2A
SCHEMBL8838259 0.76 GAA (0.34) ALOX15GAA
SCHEMBL11404858 0.75 GAA (0.39) ALOX15HTTGAAKDM4EKMT2A
SCHEMBL4009873 0.75 GAA (0.33) ALOX15GAA
SCHEMBL10744972 0.74 ALOX15 (0.43) ALOX15HTTGAAKDM4EKMT2A
SCHEMBL9281899 0.74 ALOX15 (0.40) ALOX15HTTGAAKDM4EKMT2A

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-4154722-A PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed