SCHEMBL5971526

SCHEMBL5971526

CCCC[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)OC)c(-c2cccc(O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SIRT2 Q8IXJ6 6/20 0.43
▸ SIRT1 Q96EB6 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL5970251 0.91 SIRT5 (0.48) SIRT5KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL5970241 0.91 SIRT5 (0.48) SIRT5KMT2AHSD17B10KDM4ECYP1A2
SCHEMBL5970315 0.88 SIRT5 (0.52) SIRT5SIRT2SIRT1SIRT3CA1
SCHEMBL5971110 0.81 KLKB1 (0.42) SIRT5SIRT2SIRT1SIRT3CA1
SCHEMBL5970300 0.81 SIRT5 (0.52) SIRT5KMT2AALDH1A1SIRT2SIRT1
SCHEMBL5970942 0.81 SIRT5 (0.52) SIRT5KMT2AALDH1A1SIRT2SIRT1
SCHEMBL5971952 0.80 SIRT5 (0.55) SIRT5SIRT2SIRT1SIRT3CA1
SCHEMBL5970494 0.79 SIRT5 (0.53) SIRT5SIRT2SIRT1SIRT3CA1
SCHEMBL5970497 0.79 SIRT5 (0.53) SIRT5SIRT2SIRT1SIRT3CA1
SCHEMBL5970252 0.78 LTA4H (0.48) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP disclosed
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US disclosed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US disclosed
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