SCHEMBL9586828

SCHEMBL9586828

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCOP(=O)(O)c1cnc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCD1 P51178 1/20 0.62
▸ F2 P00734 1/20 0.54
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54
▸ PRSS3 P35030 1/20 0.54
▸ TPSAB1 Q15661 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ CNR1 P21554 3/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ FOLH1 Q04609 2/20 0.48
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ FGF1 P05230 1/20 0.46
▸ FGF2 P09038 1/20 0.46
▸ VEGFA P15692 1/20 0.46

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
SCHEMBL18751368 0.81 PLCD1 (0.75) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL19705583 0.81 PLCD1 (0.69) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL13497919 0.80 TDP1 (0.67) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL12675370 0.80 TDP1 (0.67) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL18779801 0.80 TDP1 (0.78) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL17039697 0.78 F2 (0.71) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL24590149 0.78 F2 (0.66) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL14455751 0.77 PLCD1 (0.69) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL14455748 0.77 PLCD1 (0.64) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL8508187 0.77 TDP1 (0.71) PLCD1F2PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5331178-A — — None — — JP disclosed
JP-H05331178-A LABEL FOR NUCLEIC ACID NIPPON MILLIPORE KOGYO KK 1993-12-14 — — JP disclosed
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