SCHEMBL14865158

SCHEMBL14865158

CCOCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.66
▸ 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
▸ PLCD1 P51178 1/20 0.61
▸ FOLH1 Q04609 2/20 0.59
▸ CNR1 P21554 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CNR2 P34972 1/20 0.56
▸ CA12 O43570 1/20 0.56

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
SCHEMBL13165113 0.97 F2 (0.66) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23913089 0.97 F2 (0.66) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL16478840 0.95 F2 (0.69) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17085557 0.95 F2 (0.69) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL16478834 0.95 F2 (0.69) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17750087 0.95 F2 (0.69) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL10036980 0.95 F2 (0.69) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL13185184 0.94 F2 (0.68) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL12256021 0.94 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL22036033 0.94 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3

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-2581382-A2 Radiolabeled compounds and compositions, their precursors and methods for their production THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-04-17 — — EP disclosed
Send feedback