SCHEMBL14274136

SCHEMBL14274136

CCC(C)C1CC=CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 2/20 0.38
MEN1 O00255 1/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA1 P00915 4/20 0.34
CA4 P22748 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA3 P07451 1/20 0.34
CCR5 P51681 3/20 0.34
CA12 O43570 3/20 0.33
CA5A P35218 3/20 0.33
CA9 Q16790 3/20 0.33
CA5B Q9Y2D0 3/20 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
SCHEMBL12202938 0.81 MEN1 (0.38) PDCD4MEN1JAK2LMNAMAPT
SCHEMBL15946714 0.81 MEN1 (0.38) PDCD4MEN1JAK2LMNAMAPT
SCHEMBL17345370 0.81 PDCD4 (0.43) PDCD4MEN1JAK2LMNAMAPT
SCHEMBL22767511 0.81 PDCD4 (0.33) PDCD4
SCHEMBL8885618 0.76 PDCD4 (0.36) PDCD4MEN1JAK2LMNAMAPT
SCHEMBL17345371 0.73 PDCD4 (0.36) PDCD4CA1CA4CA14CA3
SCHEMBL981700 0.69
SCHEMBL13755082 0.68
SCHEMBL14496504 0.67 PDCD4 (0.49) PDCD4MEN1JAK2LMNAMAPT
SCHEMBL2401895 0.67 PDCD4 (0.49) PDCD4MEN1JAK2LMNAMAPT

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-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed