SCHEMBL19326744

SCHEMBL19326744

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
PKM P14618 2/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
TPSAB1 Q15661 3/20 0.55
F2 P00734 2/20 0.55
LY6K Q17RY6 1/20 0.53
HSP90AB1 P08238 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CAMK2B Q13554 1/20 0.52
PLG P00747 2/20 0.52
NSD2 O96028 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
GBA1 P04062 1/20 0.51
NOXO1 Q8NFA2 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL19326762 0.92 FOLH1 (0.60) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL19326743 0.91 FOLH1 (0.58) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL19326754 0.87 PKM (0.60) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL19326761 0.84 FOLH1 (0.60) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL14253695 0.83 F2 (0.59) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL19326760 0.83 HSP90AB1 (0.58) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL19326765 0.83 FOLH1 (0.66) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL23880018 0.82 PKM (0.63) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL14253678 0.82 L3MBTL3 (0.57) FOLH1L3MBTL3PKMPRSS1PRSS2
SCHEMBL12498815 0.82 L3MBTL3 (0.57) FOLH1L3MBTL3PKMPRSS1PRSS2

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
EP-2675917-B1 METHODS AND COMPOSITIONS FOR THE TARGET-LOCALIZED ANCHORING OF DETECTABLE LABEL HEADWAY TECH INC (US) 2017-09-13 EP disclosed