SCHEMBL30735826

SCHEMBL30735826

O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.69
PRSS1 P07477 1/20 0.69
PRSS2 P07478 1/20 0.69
PRSS3 P35030 1/20 0.69
TPSAB1 Q15661 1/20 0.69
PKM P14618 3/20 0.67
FOLH1 Q04609 4/20 0.65
TDP1 Q9NUW8 5/20 0.62
MEN1 O00255 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
IDE P14735 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RIN1 Q13671 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57

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
SCHEMBL22767679 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31578516 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL29485943 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24767163 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18549029 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24514747 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31479957 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18550538 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL3498955 0.99 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24766888 0.99 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713340-A2 COMPOSITIONS AND METHODS FOR PEPTIDE-BASED MODULATORS OF HUMAN PAPILLOMAVIRUS ONCOPROTEIN E6 Calico Life Sciences LLC (US) 2026-03-25 EP disclosed
WO-2025111511-A2 REVERSIBLY REACTIVE AFFINITY SELECTION MASS SPECTROMETRY AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2025-05-30 WO disclosed
US-20240036055-A1 Multiplexed DiLeu-Biotin-Azide (DBA) Tag Enabled Isobaric Tandem Orthogonal Proteolysis Activity-Based Protein Profiling (isoBOP-ABPP) Platform For High-Throughput Quantitative Pan-PTM Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-01 US disclosed