SCHEMBL8995553

SCHEMBL8995553

NN=Cc1ccc(CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.52
CA1 P00915 1/20 0.51
SIRT5 Q9NXA8 4/20 0.50
SIRT2 Q8IXJ6 3/20 0.50
SIRT1 Q96EB6 3/20 0.50
SIRT3 Q9NTG7 3/20 0.50
TPSAB1 Q15661 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA5A P35218 1/20 0.49
PTGER4 P35408 3/20 0.48
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 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 1.00 FOLH1 (0.52) FOLH1CA1SIRT5SIRT2SIRT1
SCHEMBL7417452 0.97 CA1 (0.51) FOLH1CA1SIRT5SIRT2SIRT1
SCHEMBL7417109 0.93 CASP1 (0.52) FOLH1CA1SIRT2SIRT1SIRT3
SCHEMBL7414356 0.93 CASP1 (0.52) FOLH1CA1SIRT2SIRT1SIRT3
SCHEMBL8995555 0.91 MEN1 (0.55) CA1SIRT2SIRT1SIRT3TPSAB1
SCHEMBL7471588 0.88 FOLH1 (0.52) FOLH1SIRT2SIRT1TPSAB1
SCHEMBL7414657 0.84 FOLH1 (0.53) FOLH1CA1SIRT5SIRT2SIRT1
SCHEMBL7417654 0.84 FOLH1 (0.53) FOLH1CA1SIRT5SIRT2SIRT1
SCHEMBL7415256 0.84 FOLH1 (0.53) FOLH1CA1SIRT5SIRT2SIRT1
SCHEMBL7423600 0.83 CTSS (0.55) FOLH1CA1SIRT5SIRT2SIRT1

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