SCHEMBL23399494

SCHEMBL23399494

CCCCc1cnn(CC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.38
HTT P42858 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
TP53 P04637 3/20 0.33
MEN1 O00255 3/20 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
SCHEMBL23401071 0.89 HTT (0.36) HTTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL23403044 0.87 TYR (0.37) TYRHTTGABRPGABRDGABRA1
SCHEMBL23400513 0.87 POLB (0.38) TYRHTTGABRPGABRDGABRA1
SCHEMBL23398562 0.83 TYR (0.34) TYRGABRPGABRDGABRA1GABRB1
SCHEMBL23400706 0.80 HPGD (0.38) HTTGABRA1GABRB2MEN1KMT2A
SCHEMBL23403077 0.80 TOP2A (0.35) TYRKMT2APOLBALDH1A1
SCHEMBL23403140 0.79 TYR (0.39) TYRHTTGABRPGABRDGABRA1
SCHEMBL23400738 0.76 POLB (0.40) POLB
SCHEMBL23403355 0.75 TYR (0.36) TYRHTTGABRPGABRDGABRA1
SCHEMBL23401482 0.75 TYR (0.36) TYRHTTGABRPGABRDGABRA1

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