SCHEMBL8995555

SCHEMBL8995555

CCOC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCCc1ccc(C=NN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
CACNA1F O60840 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
SIRT2 Q8IXJ6 10/20 0.53
SIRT1 Q96EB6 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIRT3 Q9NTG7 6/20 0.51
CA1 P00915 1/20 0.50
CA5A P35218 1/20 0.48
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
TPSAB1 Q15661 1/20 0.47
CTSL P07711 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
SCHEMBL7415259 0.91 FOLH1 (0.52) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL8995553 0.91 FOLH1 (0.52) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL7417452 0.89 CA1 (0.51) SIRT2SIRT1SMN1; SMN2SIRT3CA1
SCHEMBL7414356 0.86 CASP1 (0.52) SIRT2SIRT1SIRT3CA1CA5A
SCHEMBL7417109 0.86 CASP1 (0.52) SIRT2SIRT1SIRT3CA1CA5A
SCHEMBL7409898 0.86 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL7417659 0.86 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL7471588 0.84 FOLH1 (0.52) SIRT2SIRT1CAPN1CAPN2TPSAB1
SCHEMBL9146621 0.77 MEN1 (0.53) MEN1ALDH1A1HPGDKMT2ABCHE
SCHEMBL7385708 0.76 TSHR (0.53) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed