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SCHEMBL14500481

SCHEMBL14500481

CC(=O)CN[C@@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)CNC(=O)[C@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)CCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)C(=O)NCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1NC(C)=O)C(=O)NCCCC[C@H](NCC(C)=O)C(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MDK P21741 4/20 0.52
▸ FOLH1 Q04609 7/20 0.46
▸ FGF1 P05230 1/20 0.44
▸ FGF2 P09038 1/20 0.44
▸ VEGFA P15692 1/20 0.44
▸ HPSE Q9Y251 1/20 0.44
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ TPSAB1 Q15661 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ CAPN1 P07384 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8120683 0.96 MDK (0.53) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL12743545 0.95 MDK (0.53) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL12767779 0.92 MDK (0.50) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL8121361 0.87 FOLH1 (0.53) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26081709 0.86 MDK (0.54) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL14500455 0.85 FOLH1 (0.59) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12147669 0.85 MDK (0.50) MDKFOLH1FGF1FGF2VEGFA
SCHEMBL8106640 0.81 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13475036 0.80 FOLH1 (0.54) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL8115912 0.79 FOLH1 (0.61) FOLH1PRSS1PRSS2PRSS3TPSAB1

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-7211240-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL B.V. (NL) 2007-05-01 — — US disclosed
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