SCHEMBL7867833

SCHEMBL7867833

CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N(c1ccccc1)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ SIRT2 Q8IXJ6 9/20 0.42
▸ SIRT1 Q96EB6 8/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ SIRT5 Q9NXA8 2/20 0.40
▸ SIRT3 Q9NTG7 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ FOLH1 Q04609 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
SCHEMBL5970274 0.87 SIRT2 (0.52) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5970777 0.81 SIRT5 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5970141 0.77 SIRT2 (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5970996 0.74 SIRT2 (0.45) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5971002 0.72 SIRT2 (0.46) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5970328 0.71 ALDH1A1 (0.47) SIRT5
SCHEMBL21310132 0.70 FOLH1 (0.64) CA1CA2SIRT2SIRT1MMP2
SCHEMBL20677210 0.70 FOLH1 (0.73) SIRT2SIRT1MMP2MMP9FOLH1
SCHEMBL7296591 0.70 FOLH1 (0.73) SIRT2SIRT1MMP2MMP9FOLH1
SCHEMBL9866193 0.69 HTT (0.58) RAB9A

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
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP claimed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO claimed
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