SCHEMBL7688840

SCHEMBL7688840

CC1CCN(C2(O)CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.35
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.31
MET P08581 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL14413992 0.78 MET (0.30) MET
SCHEMBL23673709 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11121877 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11124856 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5959164 0.76 GRIN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL7793042 0.76 GRIN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL908580 0.76 GRIN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL28326008 0.76 GRIN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL7035041 0.76 GRIN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL7798993 0.73 NPSR1 (0.43) LMNA

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-6362373-B1 Chiral amino alcohols and process for preparation of same THE DOW CHEMICAL COMPANY 2002-03-26 US disclosed