SCHEMBL16685702

SCHEMBL16685702

CC(N)C(ON1CCCC1)c1ccccc1.O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 3/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Cadaverine Tartrate SCHEMBL16685626 0.83 LMNA (0.44) TSHRKMT2AMEN1CYP2D6POLB
SCHEMBL515589 0.82 CYP2D6 (0.40) KMT2AMEN1CYP2D6POLBLMNA
SCHEMBL16685629 0.81 LMNA (0.39) TSHRKMT2AMEN1CYP2D6POLB
SCHEMBL10366921 0.77 TSHR (0.50) TP53TSHRKMT2AMEN1CYP2D6
SCHEMBL20584667 0.72 TP53 (0.67) TP53TSHRRECQLKMT2AMEN1
SCHEMBL20584666 0.72 TP53 (0.67) TP53TSHRRECQLKMT2AMEN1
Hydroxyamine SCHEMBL11026952 0.72 TSHR (0.92) TP53TSHRRECQLKMT2AMEN1
Methyl Alcohol SCHEMBL29466887 0.72 TSHR (0.92) TP53TSHRRECQLKMT2AMEN1
SCHEMBL11886503 0.71 TSHR (1.00) TP53TSHRRECQLKMT2ACYP2D6
SCHEMBL14117921 0.71 TSHR (1.00) TP53TSHRRECQLKMT2ACYP2D6

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-2015063795-A2 NOVEL PROCESS FOR PREPARATION OF OPTICALLY PURE NOREPHEDRINE AND ITS DERIVATIVES LAURUS LABS PRIVATE LIMITED (IN) 2015-05-07 WO disclosed