SCHEMBL19003329

SCHEMBL19003329

CC(C)CC1CN(C(=O)CC2CC2)CC(=O)NC(CCCCN)CN(C(=O)CCCN)CC(=O)NC(Cc2ccccc2)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)NC(Cc2ccccc2)CN(C(=O)CC2CC2)CC(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.66
EGFR P00533 2/20 0.58
EPHA2 P29317 2/20 0.57
NFKBIA P25963 1/20 0.39
AKT1 P31749 1/20 0.39
SSTR2 P30874 7/20 0.33
SSTR5 P35346 7/20 0.33
SSTR3 P32745 2/20 0.33
SSTR4 P31391 4/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
F12 P00748 2/20 0.30

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
SCHEMBL19003328 1.00 PTGER2 (0.66) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003327 0.97 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003323 0.97 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003325 0.97 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003414 0.97 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL24157885 0.97 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003390 0.96 PTGER2 (0.64) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL23598422 0.95 PTGER2 (0.66) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL23598514 0.95 PTGER2 (0.63) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003397 0.95 PTGER2 (0.66) PTGER2EGFREPHA2NFKBIAAKT1

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
WO-2017106505-A1 GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2017-06-22 WO disclosed