SCHEMBL19350968

SCHEMBL19350968

COP(=O)(O)OP(=O)(OC)OC/C=C(\C)CC/C=C(\C)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.48
▸ PLCD1 P51178 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ TPSAB1 Q15661 1/20 0.46
▸ CNR1 P21554 3/20 0.43
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ IDE P14735 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RIN1 Q13671 1/20 0.42

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
SCHEMBL19350969 0.89 PLCD1 (0.51) TDP1PLCD1F2PRSS1PRSS2
Ammonia Solution, Strong SCHEMBL29662377 0.89 PLCD1 (0.50) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL19350967 0.84 TDP1 (0.47) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL20656160 0.81 TDP1 (0.55) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL22600908 0.80 HLCS (0.59) TDP1F2PRSS1PRSS2PRSS3
Geranyl Diphosphate SCHEMBL19329153 0.77 TDP1 (0.56) TDP1PLCD1MEN1ABL1LMNA
SCHEMBL20306213 0.76 PLCD1 (0.65) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL12672576 0.75 TDP1 (0.63) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18751368 0.74 PLCD1 (0.75) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL13110899 0.73 TDP1 (0.67) 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
WO-2017153774-A1 PRENYLATION ASSAY NIGHTSTARX LIMITED (GB) 2017-09-14 — — WO disclosed
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