SCHEMBL7439320

SCHEMBL7439320

CC(C)(C)OC(=O)NCC1(C(=O)O)CC[CH]CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HCRTR2 O43614 1/20 0.39
DRD2 P14416 5/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
IDO1 P14902 1/20 0.36
APLNR P35414 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
EPHX1 P07099 1/20 0.35
SYK P43405 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL335137 0.89 TDP1 (0.46) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL21930398 0.86 MEN1 (0.41) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL7609309 0.86 MEN1 (0.41) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL6803134 0.84 EPHX1 (0.42) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL1970278 0.82 HCRTR2 (0.44) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL3490738 0.78 USP2 (0.42) MEN1KMT2AHCRTR2EPHX1ALDH1A1
SCHEMBL23200870 0.78 MEN1 (0.41) MEN1KMT2AGAAHCRTR2TDP1
SCHEMBL24868403 0.77 KMT2A (0.40) MEN1KMT2AGAAHCRTR2TDP1
SCHEMBL12231002 0.76 TDP1 (0.46) MEN1KMT2AGAAHCRTR2DRD2
SCHEMBL16076549 0.76 TDP1 (0.46) MEN1KMT2AGAAHCRTR2DRD2

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-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed