SCHEMBL23398787

SCHEMBL23398787

CCCCc1c(O)nn(C(C)(C)C)c1CCCC

nearest known ligand 0.34

Predicted protein targets (top 13)

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
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL23402392 0.95 NPC1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23398467 0.95 HTT (0.31) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402081 0.92 NPC1 (0.33) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23400057 0.92 NPC1 (0.30) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401095 0.86 NPC1 (0.31) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23401699 0.86 FFAR1 (0.34) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23399373 0.86 FFAR1 (0.31)
SCHEMBL23398766 0.86
SCHEMBL23400611 0.84 HPGD (0.35) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL23402935 0.81

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