SCHEMBL23400736

SCHEMBL23400736

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL23399018 0.90 KDM4E (0.32) HPGDKDM4EUSP2HSD17B10
SCHEMBL23401539 0.89 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23401545 0.89 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23400501 0.89 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23401190 0.89 FFAR1 (0.33) FFAR1
SCHEMBL23403684 0.86 KDM4E (0.33) HPGDKDM4EUSP2HSD17B10
SCHEMBL23398768 0.85 KDM4E (0.33) HPGDKDM4EUSP2HSD17B10
SCHEMBL23402657 0.84 NPC1 (0.37) FFAR1HPGDKDM4ENPC1MAPK1
SCHEMBL23401518 0.83 NPC1 (0.36) FFAR1HPGDKDM4EUSP2NPC1
SCHEMBL23399039 0.82 FFAR1 (0.37) FFAR1HPGDKDM4EUSP2HSD17B10

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