SCHEMBL17459537

SCHEMBL17459537

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
LMNA P02545 1/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SYK P43405 1/20 0.40
ABCB1 P08183 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CTRB1 P17538 2/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL18076338 0.95 TPSAB1 (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL10618435 0.91 CTSS (0.40) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL10829472 0.89 ITGB3 (0.45) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL6555710 0.88 NPSR1 (0.40) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL11564615 0.88 NPSR1 (0.40) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL9321962 0.88 ATM (0.45) TPSAB1TPSD1TPSG1ITGA4ITGB7
SCHEMBL11651226 0.88 ATM (0.45) TPSAB1TPSD1TPSG1ITGA4ITGB7
SCHEMBL8392929 0.88 ATM (0.45) TPSAB1TPSD1TPSG1ITGA4ITGB7
SCHEMBL22804079 0.87 ALDH1A1 (0.46) ITGB3ITGA2BLMNACTSSCTSK
SCHEMBL22804098 0.87 ALDH1A1 (0.46) ITGB3ITGA2BLMNACTSSCTSK

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-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 WO disclosed