SCHEMBL24220333

SCHEMBL24220333

CNCCCCC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SC[C@H]2NC(=O)N[C@@H]12)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.68
▸ PRSS1 P07477 2/20 0.59
▸ PRSS2 P07478 2/20 0.59
▸ PRSS3 P35030 2/20 0.59
▸ TPSAB1 Q15661 2/20 0.59
▸ F2 P00734 1/20 0.59
▸ PLG P00747 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.57
▸ HSP90AB1 P08238 1/20 0.54
▸ PKM P14618 2/20 0.54
▸ NOXO1 Q8NFA2 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ CAPN1 P07384 1/20 0.49

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
SCHEMBL24601730 0.93 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601548 0.93 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601734 0.93 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601803 0.91 FOLH1 (0.67) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24274183 0.88 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8115912 0.86 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16602282 0.86 F2 (0.71) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL23126030 0.86 F2 (0.68) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16421337 0.86 F2 (0.73) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16602280 0.86 F2 (0.73) 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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