SCHEMBL7757574

SCHEMBL7757574

CC(C)(CNC(=O)OC(C)(C)C)CC(=O)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LATS1 O95835 1/20 0.38
APLNR P35414 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
KDM4A O75164 1/20 0.36
CA7 P43166 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21065336 0.84 TDP1 (0.52) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3049060 0.83 MEN1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1215411 0.82 TDP1 (0.45) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3924144 0.82 TDP1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL571043 0.79 TDP1 (0.52) TDP1MEN1KMT2AGAAMAOA
SCHEMBL10049407 0.79 TDP1 (0.47) TDP1MEN1KMT2AGAAMAOA
SCHEMBL7757511 0.78 TDP1 (0.41) TDP1MEN1KMT2AGAAMAOA
SCHEMBL17035399 0.77 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL12775801 0.77 TDP1 (0.46) TDP1MEN1KMT2AGAAMAOA
SCHEMBL20687292 0.77 TDP1 (0.46) TDP1MEN1KMT2AGAAMAOA

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
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed