SCHEMBL9435862

SCHEMBL9435862

COC(=O)N(CCO)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL27954428 0.78 L3MBTL1 (0.30) L3MBTL1
SCHEMBL9435781 0.77 SLC29A1 (0.32) TDP1ALDH1A1MEN1KMT2A
SCHEMBL2309943 0.74
SCHEMBL27823606 0.69 ALDH1A1 (0.32) TDP1ALDH1A1MEN1KMT2A
SCHEMBL8741873 0.68 SMN1; SMN2 (0.41) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7784512 0.67 ALDH1A1 (0.31) TDP1ALDH1A1
SCHEMBL27989623 0.66 MAPT (0.38) TDP1ALDH1A1MEN1KMT2A
SCHEMBL9013395 0.66 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL2866247 0.66 L3MBTL1 (0.42) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6552485 0.65 MAPT (0.35) ALDH1A1CYP4A11MEN1KMT2A

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-5304650-A Reacting chloroformates with amino alcohol derivatives in aqueous alkali metal hydroxide solution BAYER AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed