SCHEMBL24220346

SCHEMBL24220346

NC(=O)C(CCCCNC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.54
▸ PLG P00747 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ HSP90AB1 P08238 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ PSEN1 P49768 3/20 0.47
▸ PSEN2 P49810 3/20 0.47
▸ APH1B Q8WW43 3/20 0.47
▸ NCSTN Q92542 3/20 0.47
▸ APH1A Q96BI3 3/20 0.47
▸ PSENEN Q9NZ42 3/20 0.47
▸ CXCR4 P61073 1/20 0.45
▸ NOXO1 Q8NFA2 1/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ LCK P06239 1/20 0.44

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 0.87 FOLH1 (0.58) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24220343 0.87 FOLH1 (0.58) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24220332 0.82 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24601730 0.79 FOLH1 (0.70) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24601734 0.79 FOLH1 (0.70) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL17209386 0.79 FOLH1 (0.52) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL12429627 0.79 FOLH1 (0.52) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24601548 0.78 FOLH1 (0.70) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL12984654 0.78 PKM (0.49) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL24220333 0.77 FOLH1 (0.68) FOLH1PLGPRSS1PRSS2PRSS3

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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