SCHEMBL23401237

SCHEMBL23401237

CCCCn1cc(CC)c(O)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.37
KDR P35968 5/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
IKBKB O14920 1/20 0.33
TOP2A P11388 1/20 0.33
SMPD1 P17405 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL23400494 0.89 L3MBTL1 (0.41) TYRIKBKBTOP2AL3MBTL1
SCHEMBL23402171 0.87 TYR (0.37) TYRKDRTLR8TLR7SMPD1
SCHEMBL23400968 0.87 KDR (0.36) TYRKDRTLR8TLR7IKBKB
SCHEMBL23400917 0.83 GABRA1 (0.34) TYRKDRTLR8TLR7SMPD1
SCHEMBL11304852 0.82 KDR (0.41) TYRKDRSMPD1
SCHEMBL23401557 0.81 TYR (0.39) TYRKDRTLR8TLR7SMPD1
SCHEMBL18083200 0.80 L3MBTL1 (0.47) L3MBTL1
SCHEMBL23403281 0.80 TYR (0.37) TYRKDRL3MBTL1
SCHEMBL18083215 0.76
SCHEMBL23399728 0.76 L3MBTL1 (0.36) L3MBTL1

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