SCHEMBL8936800

SCHEMBL8936800

CC1CC[C@](C)(C(=O)C(C)(N)N)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28560684 0.76 P2RX7 (0.37) ALDH1A1P2RX7
SCHEMBL30405641 0.74 P2RX7 (0.36) ALDH1A1P2RX7TDP1
SCHEMBL16386157 0.74 P2RX7 (0.36) ALDH1A1P2RX7TDP1
SCHEMBL2799717 0.74 ALDH1A1 (0.49) ALDH1A1P2RX7
SCHEMBL16383078 0.69 P2RX7 (0.36) ALDH1A1P2RX7
SCHEMBL16383072 0.69 P2RX7 (0.36) ALDH1A1P2RX7
SCHEMBL16383079 0.69 P2RX7 (0.36) ALDH1A1P2RX7
SCHEMBL28130849 0.68 P2RX7 (0.36) ALDH1A1P2RX7
SCHEMBL13753979 0.66 P2RX7 (0.40) ALDH1A1P2RX7
SCHEMBL4635770 0.65 ALDH1A1 (0.41) ALDH1A1P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP disclosed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP disclosed