SCHEMBL23403173

SCHEMBL23403173

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
GCGR P47871 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
SCHEMBL23402278 0.91 MAPT (0.32) HTTMAPK1NPSR1MAPTKDM4E
SCHEMBL23399810 0.85 FFAR1 (0.37) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23403597 0.84 FFAR1 (0.36) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23403115 0.82 ALDH1A1 (0.33) HTTMAPTALDH1A1
SCHEMBL23403219 0.82 GCGR (0.37) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23401152 0.81 FFAR1 (0.37) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23399536 0.80 FFAR1 (0.33) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23403565 0.80 FFAR1 (0.33) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23400458 0.79 FFAR1 (0.32) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23402336 0.77 ALDH1A1 (0.33) HTTHPGDMAPTKDM4EALDH1A1

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