SCHEMBL30256099

SCHEMBL30256099

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.65
▸ PRSS1 P07477 1/20 0.65
▸ PRSS2 P07478 1/20 0.65
▸ PRSS3 P35030 1/20 0.65
▸ TPSAB1 Q15661 1/20 0.65
▸ FOLH1 Q04609 4/20 0.59
▸ PKM P14618 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.56
▸ HSP90AB1 P08238 1/20 0.53
▸ DPP8 Q6V1X1 6/20 0.52
▸ DPP9 Q86TI2 6/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ KDR P35968 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
SCHEMBL29392244 0.93 PRSS1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14922112 0.91 TDP1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14922108 0.89 TDP1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30574542 0.89 TDP1 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.88 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.88 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.88 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.88 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16342339 0.86 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20809503 0.86 F2 (0.69) 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
US-20230184782-A1 MASS SPECTROMETRY CONTROLS THE BINDING SITE GROUP LIMITED (GB) 2023-06-15 — — US disclosed
EP-4150350-A1 MASS SPECTROMETRY CONTROLS The Binding Site Group Limited (GB) 2023-03-22 — — EP disclosed
CN-115698724-A Mass Spectrometry comparison 结合点集团有限公司 2023-02-03 — — CN disclosed
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