SCHEMBL11080586

SCHEMBL11080586

CNC(=O)OC[C@@]1(C(C)=O)C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL11259508 1.00 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL11248231 0.85 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11071794 0.85 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11095267 0.85 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11259982 0.85 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11074989 0.85 EPHX1 (0.35) ALDH1A1CYP2D6CYP2C19
SCHEMBL11072565 0.84 ALDH1A1 (0.35) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL11252005 0.84 MEN1 (0.39) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL11077566 0.84 ALDH1A1 (0.30) ALDH1A1CYP2D6CYP2C19
SCHEMBL11256657 0.84 MEN1 (0.51) ALDH1A1CYP2D6CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed