SCHEMBL4552880

SCHEMBL4552880

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.58
▸ PRSS1 P07477 1/20 0.58
▸ PRSS2 P07478 1/20 0.58
▸ PRSS3 P35030 1/20 0.58
▸ TPSAB1 Q15661 1/20 0.58
▸ PKM P14618 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ FOLH1 Q04609 2/20 0.52
▸ DPP8 Q6V1X1 3/20 0.49
▸ DPP9 Q86TI2 3/20 0.49
▸ HPSE Q9Y251 1/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ FLT1 P17948 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ CNR1 P21554 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
SCHEMBL29392244 0.93 PRSS1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18268937 0.92 TDP1 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14563088 0.88 F2 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30256099 0.86 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13888577 0.85 TDP1 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10002269 0.85 TDP1 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1727527 0.85 TDP1 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24495340 0.84 F2 (0.49) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14922108 0.84 TDP1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14922112 0.84 TDP1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325315-A1 DETECTION METHOD OF TARGET SUBSTANCE, DETECTION REAGENT USED FOR THE SAME, AND THE USES THEREOF ARKRAY, INC. (JP) 2009-12-31 — — US disclosed
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