SCHEMBL10421627

SCHEMBL10421627

COC(=O)C(O)CC(N)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 2/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ CA9 Q16790 2/20 0.36

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
SCHEMBL10710323 0.85 EPHX1 (0.35) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10701343 0.79 ALDH1A1 (0.42) TP53ALDH1A1SMN1; SMN2EPHX1
SCHEMBL10712271 0.75 ALDH1A1 (0.37) TP53ALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL8283254 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL22143669 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL24724891 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL2608454 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL4570295 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL954821 0.74 DPP4 (0.47) TP53NPSR1ALDH1A1SLC6A3THRB
SCHEMBL13150879 0.74 TP53 (0.43) KMT2AMEN1TP53NPSR1ALDH1A1

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-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 — — US disclosed
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