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SCHEMBL19003333

SCHEMBL19003333

CC(C)CC1CN(C(=O)CC2CC2)CC(=O)NC(CCCCN)CN(C(=O)CCC2CCCCC2)CC(=O)NC2CC(C)NC(=O)CN(C2)C(=O)CCSCc2ccc(cc2)C(=O)NC(C)CN(C(=O)CCc2ccccc2)CC(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.61
▸ EGFR P00533 2/20 0.56
▸ EPHA2 P29317 2/20 0.45
▸ NFKBIA P25963 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL19003331 1.00 PTGER2 (0.61) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003330 0.90 PTGER2 (0.69) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL23598456 0.90 PTGER2 (0.69) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL23598626 0.82 PTGER2 (0.62) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003327 0.81 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003323 0.81 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003325 0.81 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL24157885 0.81 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003414 0.81 PTGER2 (0.71) PTGER2EGFREPHA2NFKBIAAKT1
SCHEMBL19003328 0.78 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