SCHEMBL7945592

SCHEMBL7945592

CNC(C)(C)CC(C)(C)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL22509149 0.82 ALDH1A1 (0.36) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL6893345 0.79 ALDH1A1 (0.41) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL13086577 0.75 ALDH1A1 (0.45) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL15014396 0.75 ALDH1A1 (0.39) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL22997176 0.73 ALDH1A1 (0.35) ALDH1A1GAAPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL15510994 0.73 ALDH1A1 (0.44) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL16284394 0.73 ALDH1A1 (0.35) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL22096453 0.73 L3MBTL1 (0.42) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL23386228 0.72 ALDH1A1 (0.37) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL23298822 0.72

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
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed