SCHEMBL9684208

SCHEMBL9684208

[O-][S+]1CNc2ccc(CCCCO)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
BCHE P06276 5/20 0.35
ACHE P22303 2/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 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
SCHEMBL8114298 0.85 HRH1 (0.37)
SCHEMBL9685789 0.84 SKP2 (0.41) CA2
SCHEMBL7765516 0.83 RECQL (0.31)
SCHEMBL9204489 0.76 KDM4E (0.34)
SCHEMBL6541584 0.73 SKP2 (0.37) CA2ACHE
SCHEMBL27450752 0.72 SLC6A2 (0.32)
SCHEMBL9684946 0.70 BCHE (0.37) CA2BCHEACHEIGF1RALOX15
SCHEMBL8785080 0.65 ALDH1A1 (0.33)
SCHEMBL9483054 0.65 ATM (0.41) ALOX15
SCHEMBL5727378 0.65 MAPT (0.39) ALOX15

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed