SCHEMBL20537346

SCHEMBL20537346

O=C(CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCCCCCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.70
FOLH1 Q04609 2/20 0.57
MEN1 O00255 1/20 0.53
ABL1 P00519 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
IDE P14735 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
RIN1 Q13671 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CAPN1 P07384 2/20 0.53
PLCD1 P51178 1/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
FGF1 P05230 1/20 0.50

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
SCHEMBL28653646 1.00 TDP1 (0.70) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL25305424 1.00 TDP1 (0.70) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL7906513 0.99 TDP1 (0.72) TDP1FOLH1MEN1ABL1LMNA
Biotin SCHEMBL15104961 0.96 TDP1 (0.68) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL29531469 0.93 TDP1 (0.61) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL4077964 0.89 TDP1 (0.68) TDP1FOLH1MEN1ABL1LMNA
Biotin SCHEMBL29531755 0.87 TDP1 (0.69) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL23124403 0.86 TDP1 (0.57) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL625200 0.86 TDP1 (0.57) TDP1FOLH1MEN1ABL1LMNA
SCHEMBL12098624 0.85 TDP1 (0.83) TDP1FOLH1MEN1ABL1LMNA

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-3391876-A1 LIPID CONSTRUCT FOR DELIVERY OF INSULIN TO A MAMMAL SDG, Inc. (US) 2018-10-24 EP disclosed