SCHEMBL6674196

SCHEMBL6674196

NC(=O)C(Cc1ccccc1)N(CCO)CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRR Q9GZT4 2/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MDM2 Q00987 1/20 0.40
SLC15A1 P46059 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL8950931 0.86 CYP1A2 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8950928 0.82 ALPL (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21247440 0.79 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL9316042 0.79 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3091879 0.78 LAP3 (0.51) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3091871 0.78 LAP3 (0.51) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3901603 0.77 ALDH1A1 (0.58) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20791653 0.77 ALDH1A1 (0.58) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL1432589 0.77 ALDH1A1 (0.58) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6899207 0.76 UBE2N (0.44) EPHX1ALDH1A1MAPTANPEPLAP3

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-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed