SCHEMBL14406304

SCHEMBL14406304

CCCCOC[C@@H]1C[C@H](C)C(CC#N)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ MAPT P10636 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
SCHEMBL12000750 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRLMNA
SCHEMBL16661755 0.74 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL13696395 0.74 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL12000749 0.74 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL15481876 0.73 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL13391794 0.69 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
SCHEMBL10142408 0.67 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1TSHRKDM4E
Water SCHEMBL11082954 0.67 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRPDK1
Water SCHEMBL27710978 0.67 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRPDK1
SCHEMBL13497251 0.66 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRPDK1

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-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 — — US disclosed
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