SCHEMBL23403271

SCHEMBL23403271

CCCCc1c(C(C)(C)C)nn(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 2/20 0.32
MAPT P10636 2/20 0.32
SIRT1 Q96EB6 1/20 0.31
CNR1 P21554 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23402961 0.89 MAPT (0.36) MAPT
SCHEMBL23399182 0.83 NR1H3 (0.35) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401854 0.83 HPGD (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23403435 0.82 MAPT (0.35) MAPT
SCHEMBL23401894 0.81 NPC1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401912 0.81 NPC1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23403565 0.80 FFAR1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402172 0.78 HPGD (0.38) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23403064 0.77 NPC1 (0.37) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402765 0.77 GAA (0.40) HPGDNPC1MAPK1HTTRAB9A

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