SCHEMBL11512005

SCHEMBL11512005

N[C@H](Cc1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
KIF11 P52732 1/20 0.57
SLC15A1 P46059 2/20 0.50
EPHX1 P07099 1/20 0.49
LTA4H P09960 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
SRR Q9GZT4 2/20 0.45

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
Hydrochloric Acid SCHEMBL27517459 0.98 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7450948 0.84 KDM4E (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28265844 0.84 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7353385 0.83 CYP2D6 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16099181 0.83 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11194800 0.83 KIF11 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11077265 0.83 KIF11 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15064920 0.83 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11194798 0.83 KIF11 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27505088 0.83 PKM (0.53) ALPIPKMPTGS1XIAPSLC7A5

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-4171412-A COPOLYMER OF HYDROXYALKYLAMIDE OR HYDROXYALKYL ESTER OF ACRYLIC OR METHACRYLIC ACID AND CROSSLINKING ETHYLENE GLYCOL DIACRYLATE OR DIMETHACRYLATE CESKOSLOVENSKA AKADEMIE VED (CS) 1979-10-16 US disclosed