SCHEMBL24220343

SCHEMBL24220343

NC(=O)C(CCCCNC(=O)C(CCC(=O)O)CC(=O)C(N)Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)N[C@H]21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.58
▸ PRSS1 P07477 2/20 0.53
▸ PRSS2 P07478 2/20 0.53
▸ PRSS3 P35030 2/20 0.53
▸ TPSAB1 Q15661 2/20 0.53
▸ PLG P00747 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.44
▸ PLCG1 P19174 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP2 P42575 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL24220342 1.00 FOLH1 (0.58) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24220346 0.87 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601730 0.79 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601734 0.79 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601548 0.78 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601803 0.78 FOLH1 (0.67) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24220332 0.78 FOLH1 (0.56) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24220333 0.77 FOLH1 (0.68) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17209386 0.77 FOLH1 (0.52) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12429627 0.77 FOLH1 (0.52) FOLH1PRSS1PRSS2PRSS3TPSAB1

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-20220026420-A1 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES SUCH AS HISTAMINE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-27 — — US disclosed
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