SCHEMBL13719079

SCHEMBL13719079

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.67
▸ PRSS1 P07477 2/20 0.57
▸ PRSS2 P07478 2/20 0.57
▸ PRSS3 P35030 2/20 0.57
▸ TPSAB1 Q15661 2/20 0.57
▸ PLG P00747 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ HSP90AB1 P08238 1/20 0.56
▸ OPRM1 P35372 1/20 0.55
▸ F2 P00734 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM1A O60341 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ CAMK2B Q13554 1/20 0.51

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
SCHEMBL5804927 0.90 TDP1 (0.55) FOLH1PKMTDP1CA12CA1
SCHEMBL19326750 0.87 CA12 (0.67) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19326761 0.85 FOLH1 (0.60) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL5808600 0.83 TDP1 (0.57) FOLH1PKMTDP1CA12CA1
SCHEMBL31303974 0.83 TDP1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31267210 0.83 TDP1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19326762 0.82 FOLH1 (0.60) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL21531147 0.82 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL21531206 0.82 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.82 F2 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675917-B1 METHODS AND COMPOSITIONS FOR THE TARGET-LOCALIZED ANCHORING OF DETECTABLE LABEL HEADWAY TECH INC (US) 2017-09-13 — — EP disclosed
US-9447455-B2 Methods and compositions for the target-localized anchoring of detectable label HEADWAY TECHNOLOGIES, INC. (US) 2016-09-20 — — US disclosed
US-20120289419-A1 Methods and Compositions for the Target-localized Anchoring of Detectable Label HEADWAY TECHNOLOGIES, INC. 2012-11-15 — — US disclosed
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