SCHEMBL23399036

SCHEMBL23399036

CCCCc1c(CCC)c(O)nn1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC2A1 P11166 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL23401639 0.95 FFAR1 (0.35) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23400231 0.90 GLA (0.31) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23398740 0.87 FFAR1 (0.33) FFAR1
SCHEMBL23401268 0.87 FFAR1 (0.34) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23398631 0.86 GLA (0.30)
SCHEMBL23403040 0.84 FFAR1 (0.36) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23398635 0.83
SCHEMBL23403246 0.81 FFAR1 (0.32) FFAR1HTTNPC1HPGDMAPK1
SCHEMBL23399869 0.79 FFAR1 (0.36) FFAR1HTTKDM4ENPC1HPGD
SCHEMBL23399060 0.79

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