SCHEMBL23398606

SCHEMBL23398606

CC(C)c1nn(C(C)(C)C)c(O)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 1/20 0.45
GCGR P47871 2/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 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
SCHEMBL23401223 0.86 GCGR (0.37) SMN1; SMN2HPGDGCGRSRCABL1
SCHEMBL23399870 0.79 NPC1 (0.44) SMN1; SMN2GCGRNPC1RAB9AALDH1A1
SCHEMBL23400097 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HPGDSRCABL1HTR2A
SCHEMBL23401530 0.79 SMN1; SMN2 (0.66) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL23400306 0.79 GCGR (0.42) SMN1; SMN2HPGDGCGRPDE4APDE4B
SCHEMBL23398834 0.79 GCGR (0.42) SMN1; SMN2HPGDGCGRPDE4APDE4B
SCHEMBL23403326 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HPGDSRCABL1HTR2A
SCHEMBL23401202 0.75 RECQL (0.43) SMN1; SMN2HPGDSRCABL1HTR2A
SCHEMBL23402724 0.75 SMN1; SMN2 (0.45) SMN1; SMN2HPGDGCGRPDE4APDE4B
SCHEMBL23399434 0.75 GCGR (0.46) SMN1; SMN2GCGRPDE4APDE4BPDE4C

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed