SCHEMBL11255680

SCHEMBL11255680

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11072565 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11102700 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11252003 0.85 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11252005 0.85 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11256657 0.85 MEN1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11072312 0.85 MEN1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11080586 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11259508 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11254660 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL11253442 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1

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-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed