SCHEMBL21095358

SCHEMBL21095358

COCCOCCOCCOc1ccc(COC(=O)CC[C@H](N)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.45
P2RY10 O00398 4/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
GPR174 Q9BXC1 3/20 0.41
APP P05067 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ACACB O00763 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
SCHEMBL21095469 0.88 ITGB3 (0.43) LTA4HP2RY10ITGB3ITGA2BGPR174
SCHEMBL8191972 0.83 KIF11 (0.50) LTA4HPPARGPPARA
SCHEMBL19472860 0.81 DDAH1 (0.46) P2RY10
SCHEMBL21095635 0.81 ITGB3 (0.57) LTA4HITGB3ITGA2BAPPPPARG
SCHEMBL1712530 0.80 ITGB3 (0.63) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL18244721 0.80 ITGB3 (0.63) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL1712972 0.80 ITGB3 (0.63) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL16559903 0.78 MEN1 (0.45) LTA4HAPP
SCHEMBL22817373 0.78 LTA4H (0.47) LTA4HITGB3ITGA2B
SCHEMBL16330103 0.78 LTA4H (0.47) LTA4HITGB3ITGA2B

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
WO-2019115609-A1 SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES OF HUMAN PEPTIDE Y UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
WO-2019115614-A1 PEPTIDIC MELANOCORTIN 1 RECEPTOR AGONIST - SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed