SCHEMBL18705339

SCHEMBL18705339

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCNC(=O)CCOCCOCCOCCOCCNC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.66
PKM P14618 2/20 0.57
HSP90AB1 P08238 1/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
TPSAB1 Q15661 3/20 0.57
PLG P00747 2/20 0.57
F2 P00734 2/20 0.57
NOXO1 Q8NFA2 1/20 0.56
GBA1 P04062 1/20 0.54
HPSE Q9Y251 1/20 0.54
KDM1A O60341 3/20 0.52
L3MBTL3 Q96JM7 1/20 0.51

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
SCHEMBL19326765 0.87 FOLH1 (0.66) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL20533126 0.85 FOLH1 (0.66) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL21531147 0.83 FOLH1 (0.70) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL21531206 0.83 FOLH1 (0.70) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL19017236 0.83 F2 (0.73) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL4968230 0.83 F2 (0.73) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL15216220 0.83 F2 (0.73) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL19751698 0.83 F2 (0.73) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL19326752 0.82 FOLH1 (0.63) FOLH1PKMHSP90AB1PRSS1PRSS2
SCHEMBL18690250 0.82 FOLH1 (0.74) FOLH1PKMHSP90AB1PRSS1PRSS2

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-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed