SCHEMBL18257192

SCHEMBL18257192

COC(=O)CCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.81
▸ CNR1 P21554 3/20 0.60
▸ PLCD1 P51178 1/20 0.60
▸ F2 P00734 1/20 0.60
▸ PRSS1 P07477 1/20 0.60
▸ PRSS2 P07478 1/20 0.60
▸ PRSS3 P35030 1/20 0.60
▸ TPSAB1 Q15661 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CNR2 P34972 2/20 0.59
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58

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
SCHEMBL2768198 1.00 TDP1 (0.81) TDP1CNR1PLCD1F2PRSS1
SCHEMBL19959667 1.00 TDP1 (0.81) TDP1CNR1PLCD1F2PRSS1
SCHEMBL18779801 0.92 TDP1 (0.78) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL16141189 0.91 TDP1 (0.97) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19409007 0.91 TDP1 (0.73) TDP1CNR1PLCD1F2PRSS1
SCHEMBL19380670 0.91 TDP1 (0.73) TDP1CNR1PLCD1F2PRSS1
SCHEMBL13497919 0.91 TDP1 (0.67) TDP1CNR1PLCD1F2PRSS1
SCHEMBL12675370 0.91 TDP1 (0.67) TDP1CNR1PLCD1F2PRSS1
SCHEMBL10047701 0.90 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL565879 0.90 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM

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
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 — — WO disclosed
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