SCHEMBL23399536

SCHEMBL23399536

CCCCc1nn(C(C)C)c(O)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL23399810 0.95 FFAR1 (0.37) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23400458 0.91 FFAR1 (0.32) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23403370 0.88 FFAR1 (0.33) FFAR1
SCHEMBL23403597 0.86 FFAR1 (0.36) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23403687 0.85 KDM4E (0.30) MAPK1NPSR1KDM4E
SCHEMBL23401152 0.83 FFAR1 (0.37) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23401842 0.82 FFAR1 (0.33) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23402430 0.82 KDM4E (0.33) HPGDKDM4E
SCHEMBL23398553 0.81 GCGR (0.30)
SCHEMBL23403173 0.80 FFAR1 (0.37) FFAR1NPC1HPGDMAPK1HTT

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