SCHEMBL16408402

SCHEMBL16408402

CCCCCCCCCCCC(=O)NCC(NC(=O)CCCCCCCCCCC)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.58
▸ PRSS1 P07477 2/20 0.55
▸ PRSS2 P07478 2/20 0.55
▸ PRSS3 P35030 2/20 0.55
▸ TPSAB1 Q15661 2/20 0.55
▸ F2 P00734 1/20 0.55
▸ PTPN2 P17706 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ PLG P00747 1/20 0.52
▸ PKM P14618 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ GLP1R P43220 5/20 0.48
▸ CNR2 P34972 1/20 0.48

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
SCHEMBL24601548 0.87 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8115912 0.86 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601734 0.86 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24601730 0.86 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16349973 0.86 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12767763 0.85 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12147642 0.85 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12743524 0.85 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12972428 0.85 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14500455 0.85 FOLH1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827552-B2 Functionalized lipid modification of solid phase surfaces for use in chromatography CLEMSON UNIVERSITY (US) 2017-11-28 — — US disclosed
US-20150024511-A1 FUNCTIONALIZED LIPID MODIFICATION OF SOLID PHASE SURFACES FOR USE IN CHROMATOGRAPHY NATIONAL SCIENCE FOUNDATION 2015-01-22 — — US disclosed
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