SCHEMBL11117872

SCHEMBL11117872

CC(C)C1(C)CCCC(OC(=O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
FAP Q12884 1/20 0.38
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
SLC15A1 P46059 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
EP300 Q09472 1/20 0.36
HIF1A Q16665 1/20 0.36
CREBBP Q92793 1/20 0.36
ANPEP P15144 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
SCHEMBL9561884 0.81 SLC7A5 (0.34) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL1491546 0.80 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL22593493 0.80 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL215971 0.80 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL7114295 0.80 TYR (0.64) TYRALPIPKMPTGS1XIAP
SCHEMBL23642931 0.79 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL22375034 0.79 TYR (0.62) TYRALPIPKMPTGS1XIAP
SCHEMBL22375169 0.79 TYR (0.62) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL17707256 0.79 TYR (0.62) TYRALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL5283593 0.79 TYR (0.62) TYRALPIPKMPTGS1XIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121618-A1 A method for the resolution of racemic amino acids UOP INC. (US) 1984-10-17 EP disclosed
US-4379941-A CHROMATOGRAPHY OF MENTHOL ESTERS UOP INC. (US) 1983-04-12 US disclosed