SCHEMBL23402172

SCHEMBL23402172

CCCCc1nn(C)c(O)c1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
MAPK8 P45983 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
FFAR1 O14842 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL23403064 0.94 NPC1 (0.37) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23400875 0.94 MAPK8 (0.34) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23400292 0.92 MAPK8 (0.33) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23402765 0.90 GAA (0.40) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23398526 0.86 GAA (0.36) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23400183 0.86 FFAR1 (0.33) MAPK8FFAR1
SCHEMBL23399039 0.84 FFAR1 (0.37) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23401617 0.83 SMN1; SMN2 (0.39) NPC1MAPK1RAB9AHTTNPSR1
SCHEMBL23402468 0.81 HPGD (0.36) HPGDNPC1MAPK1RAB9AHTT
SCHEMBL23401719 0.80 SMN1; SMN2 (0.37) NPC1RAB9AMAPK8GAASMN1; SMN2

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