SCHEMBL22580893

SCHEMBL22580893

NCCCCC(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.53
▸ PRSS2 P07478 3/20 0.53
▸ PRSS3 P35030 3/20 0.53
▸ TPSAB1 Q15661 3/20 0.53
▸ PLG P00747 2/20 0.53
▸ FOLH1 Q04609 8/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ F2 P00734 2/20 0.47
▸ CAPN1 P07384 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ CNR1 P21554 1/20 0.45

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
SCHEMBL22580908 0.92 FOLH1 (0.51) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL22769248 0.87 FOLH1 (0.65) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL17244682 0.87 FOLH1 (0.65) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL25035174 0.86 FOLH1 (0.50) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL24858269 0.86 TDP1 (0.57) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL24858268 0.86 TDP1 (0.57) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL16458328 0.85 FOLH1 (0.62) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL16329737 0.83 FOLH1 (0.62) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL24312562 0.83 FOLH1 (0.54) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13125727 0.81 PKM (0.57) PRSS1PRSS2PRSS3TPSAB1FOLH1

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
US-20200333354-A1 METHODS AND REAGENTS TO LABEL BACTERIA AND VIRUS AND IDENTIFY THEIR INTERACTING PROTEINS PURDUE RESEARCH FOUNDATION (US) 2020-10-22 — — US disclosed
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