SCHEMBL16478840

SCHEMBL16478840

CCOCCOCCOCCCNC(=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
▸ TDP1 Q9NUW8 5/20 0.62
▸ FOLH1 Q04609 3/20 0.61
▸ PKM P14618 3/20 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
SCHEMBL10036980 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16478834 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17085557 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17750087 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13185184 0.99 F2 (0.68) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL23913089 0.98 F2 (0.66) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13165113 0.98 F2 (0.66) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15987009 0.95 F2 (0.76) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15281582 0.95 F2 (0.76) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12043072 0.95 F2 (0.76) 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-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 — — US disclosed
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 — — US disclosed
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