SCHEMBL7902281

SCHEMBL7902281

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

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 0.65
FOLH1 Q04609 3/20 0.63
TDP1 Q9NUW8 5/20 0.60
PLCD1 P51178 1/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55

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
SCHEMBL13907081 0.95 F2 (0.68) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24766874 0.94 F2 (0.66) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.94 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.94 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.94 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.94 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14503597 0.94 F2 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20129535 0.93 FOLH1 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12578925 0.93 F2 (0.68) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12650832 0.93 F2 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277489-B1 Support for high performance affinity chromatography and other uses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-08-21 US disclosed
WO-2000032044-A1 A NEW SUPPORT FOR HIGH PERFORMANCE AFFINITY CHROMATOGRAPHY AND OTHER USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-08 WO disclosed