SCHEMBL7574171

SCHEMBL7574171

O=CCCNC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.54
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CAPN1 P07384 1/20 0.51
CAPN2 P17655 1/20 0.51
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
TGM2 P21980 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
SCHEMBL6950440 0.87 FOLH1 (0.64) FOLH1SIRT2SIRT1CAPN1CAPN2
SCHEMBL13324010 0.86 SIRT2 (0.61) FOLH1SIRT2SIRT1CAPN1CAPN2
SCHEMBL6363995 0.84 CTSK (0.54) FOLH1CAPN1CAPN2
SCHEMBL30869144 0.82 HTT (0.58) FOLH1TGM2
SCHEMBL19925534 0.81 FOLH1 (0.64) FOLH1SIRT2SIRT1PPARGPPARA
SCHEMBL19307785 0.81 FOLH1 (0.64) FOLH1SIRT2SIRT1PPARGPPARA
SCHEMBL9698236 0.81 FOLH1 (0.64) FOLH1SIRT2SIRT1PPARGPPARA
SCHEMBL24238520 0.81 FOLH1 (0.64) FOLH1SIRT2SIRT1PPARGPPARA
SCHEMBL9697060 0.81 FOLH1 (0.64) FOLH1SIRT2SIRT1PPARGPPARA
SCHEMBL29467642 0.81 LMNA (0.54) FOLH1SIRT2SIRT1CAPN1CAPN2

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
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 WO disclosed