SCHEMBL17209386

SCHEMBL17209386

O=CCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.52
▸ PKM P14618 2/20 0.51
▸ PRSS1 P07477 2/20 0.49
▸ PRSS2 P07478 2/20 0.49
▸ PRSS3 P35030 2/20 0.49
▸ TPSAB1 Q15661 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ CAPN1 P07384 2/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ SORT1 Q99523 1/20 0.44

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
SCHEMBL12429627 1.00 FOLH1 (0.52) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12984654 0.81 PKM (0.49) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL17209334 0.81 PLCG1 (0.44) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL17209387 0.81 PLCG1 (0.44) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL24220346 0.79 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.77 F2 (0.73) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL19751698 0.77 F2 (0.73) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL15216220 0.77 F2 (0.73) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL19017236 0.77 F2 (0.73) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL15279174 0.77 F2 (0.66) FOLH1PKMPRSS1PRSS2PRSS3

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-2351777-B1 ANTI-MUC1 ANTIBODY SHIONOGI & CO (JP) 2015-10-28 — — EP disclosed
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