SCHEMBL21556940

SCHEMBL21556940

COCCCOc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.70
ITGA2B P08514 3/20 0.70
ACACB O00763 3/20 0.56
PPARG P37231 4/20 0.54
PPARD Q03181 4/20 0.54
PPARA Q07869 4/20 0.54
SLC7A5 Q01650 2/20 0.53
PTPN1 P18031 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
TPH1 P17752 2/20 0.48
LDHA P00338 1/20 0.47
PTPRC P08575 1/20 0.47

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
SCHEMBL16163350 0.93 ITGB3 (0.68) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL27674868 0.92 ITGB3 (0.80) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL18244721 0.89 ITGB3 (0.63) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL1712972 0.89 ITGB3 (0.63) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL1712530 0.89 ITGB3 (0.63) ITGB3ITGA2BACACBPPARGPPARD
SCHEMBL157968 0.88 ITGB3 (0.74) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL157969 0.88 ITGB3 (0.74) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL8530276 0.88 ITGB3 (0.74) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL27654977 0.88 ITGB3 (0.77) ITGB3ITGA2BPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL16816253 0.87 ITGB3 (0.72) ITGB3ITGA2BACACBPPARGPPARD

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
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed