SCHEMBL8346971

SCHEMBL8346971

C[C@@]12CC[C@]1(C)C/C(=C(/C#N)C(=O)O)C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7061130 0.81
SCHEMBL16043318 0.78
SCHEMBL16043321 0.78
SCHEMBL20097985 0.75 LMNA (0.33) SMN1; SMN2
SCHEMBL15577206 0.70
SCHEMBL15577207 0.70
SCHEMBL17037802 0.69 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL6622150 0.69 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL4545218 0.67 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL10325030 0.67 GRIK1 (0.45) ALDH1A1SMN1; SMN2

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-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
WO-2004016260-A1 THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS PFIZER LIMITED (GB) 2004-02-26 WO disclosed