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SCHEMBL19003412

SCHEMBL19003412

NCCCCC1CN(C(=O)CCc2ccccc2)CC(=O)NC(CCC(=O)O)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)NC(CCC(=O)O)CN(C(=O)CCC(=O)O)CC(=O)NC(CCCCN)CN(C(=O)CCCN)CC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.62
▸ EGFR P00533 2/20 0.58
▸ PTGER2 P43116 2/20 0.52
▸ NFKBIA P25963 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31

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
SCHEMBL19003318 1.00 EPHA2 (0.62) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003320 1.00 EPHA2 (0.62) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003382 0.98 EPHA2 (0.66) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24158168 0.93 EPHA2 (0.61) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24548693 0.89 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL23598453 0.89 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003389 0.89 EGFR (0.65) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL24548651 0.88 EGFR (0.64) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003323 0.85 PTGER2 (0.71) EPHA2EGFRPTGER2NFKBIAAKT1
SCHEMBL19003325 0.85 PTGER2 (0.71) EPHA2EGFRPTGER2NFKBIAAKT1

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