SCHEMBL13780945

SCHEMBL13780945

CC(=O)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 6/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 4/20 0.47
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16158151 0.88 GRIN2D (0.50) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL16354053 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL7337692 0.82 EPHX2 (0.50) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL27414255 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL3763631 0.80 EPHX2 (0.48) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL1323193 0.80 EPHX2 (0.48) MEN1KMT2AALDH1A1EPHX2GRIN2D
SCHEMBL6858927 0.80 EPHX2 (0.48) MEN1KMT2AALDH1A1EPHX2GRIN2D
SCHEMBL10835602 0.79 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL660423 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CCR6NPSR1
SCHEMBL1758641 0.78 EPHX2 (0.50) MEN1KMT2AALDH1A1CCR6NPSR1

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-20090169638-A1 Inhibitors of ribonucleotide reductase subunit 2 and uses thereof CALANDO PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed