SCHEMBL3987558

SCHEMBL3987558

NC(=O)C1C2C3C[C@@H]([C@@H]12)[C@H]1CCC[C@@H]31

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR2F2 P24468 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3985858 1.00 EPHX1 (0.31) EPHX1ALDH1A1NR2F2SMN1; SMN2
SCHEMBL3987562 1.00 EPHX1 (0.31) EPHX1ALDH1A1NR2F2SMN1; SMN2
SCHEMBL3981109 0.79 POLB (0.43) ALDH1A1SMN1; SMN2
SCHEMBL3984100 0.79 POLB (0.43) ALDH1A1SMN1; SMN2
SCHEMBL9963064 0.78
SCHEMBL3983137 0.78
SCHEMBL3981794 0.74 FPR3 (0.33)
SCHEMBL3984318 0.72
SCHEMBL3983946 0.72 EPHX1 (0.42) EPHX1ALDH1A1
SCHEMBL1660648 0.72 EPHX1 (0.42) EPHX1ALDH1A1

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
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed