SCHEMBL20827735

SCHEMBL20827735

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.51
▸ TDP1 Q9NUW8 4/20 0.49
▸ CASP3 P42574 3/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP2 P42575 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45

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
SCHEMBL13311812 0.85 TDP1 (0.56) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL13311792 0.84 TDP1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL14524233 0.84 TDP1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL14524231 0.84 TDP1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL14524270 0.84 TDP1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL13432796 0.84 TDP1 (0.54) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL13311852 0.84 TDP1 (0.55) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL13311789 0.83 TDP1 (0.51) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL20827746 0.83 NPY4R (0.50) —
SCHEMBL13311908 0.83 TDP1 (0.61) FOLH1TDP1CASP3CASP1CASP2

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-2019054822-A1 ACTIVE SUBSTANCE-HEXAPEPTIDE COMPLEX AND COSMETIC COMPOSITION CONTAINING SAME 애니젠 주식회사 2019-03-21 — — WO disclosed
Send feedback