SCHEMBL16349973

SCHEMBL16349973

CCCC(=O)[C@H](CCCCNC(=O)CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC)C(N)=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.59
▸ PKM P14618 2/20 0.53
▸ PRSS1 P07477 2/20 0.52
▸ PRSS2 P07478 2/20 0.52
▸ PRSS3 P35030 2/20 0.52
▸ TPSAB1 Q15661 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ PLG P00747 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ KDM2A Q9Y2K7 1/20 0.48
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ CNR1 P21554 1/20 0.47

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
SCHEMBL8115912 0.92 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL8106640 0.86 FOLH1 (0.54) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL24601548 0.86 FOLH1 (0.70) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL16408402 0.86 FOLH1 (0.58) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12767763 0.85 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12147642 0.85 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL14500455 0.85 FOLH1 (0.59) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL24601734 0.85 FOLH1 (0.70) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL24601730 0.85 FOLH1 (0.70) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL24220333 0.84 FOLH1 (0.68) 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
US-7910088-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO SUISSE SA (CH) 2011-03-22 — — US disclosed
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