SCHEMBL17029398

SCHEMBL17029398

CC[C@H]1CC[C@@](O)(C(=O)NC)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15199090 0.78 CYP2C9 (0.34)
SCHEMBL14537868 0.78 ALDH1A1 (0.36) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL15199091 0.78 CYP2C9 (0.34)
SCHEMBL13451458 0.76
SCHEMBL16015291 0.70 SMN1; SMN2 (0.41) POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL28573519 0.69 KDM4E (0.42) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL15014640 0.68 KDM4E (0.41) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL21743224 0.68 KDM4E (0.41) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL178337 0.68 KDM4E (0.41) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL1811883 0.67 MAPT (0.37) POLBKDM4EALDH1A1GAAHPGD

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-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed