SCHEMBL7168302

SCHEMBL7168302

O=C(NC(Cc1ccc(OCCNCc2nc3ccccc3o2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.59
▸ ITGA2B P08514 14/20 0.59
▸ ITGAV P06756 1/20 0.51
▸ PPARG P37231 4/20 0.46
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7168299 1.00 ITGB3 (0.59) ITGB3ITGA2BITGAVPPARGMAPT
SCHEMBL2786491 0.85 PPARG (0.53) PPARG
Trifluoroacetic Acid SCHEMBL7711566 0.83 PPARG (0.50) PPARG
SCHEMBL7920692 0.82 PPARG (0.50) PPARG
SCHEMBL7922719 0.82 PPARG (0.48) ITGB3ITGA2BPPARG
SCHEMBL2808625 0.82 PPARG (0.60) PPARG
Bromide SCHEMBL7424338 0.81 ATM (0.47) ITGB3ITGA2BITGAV
SCHEMBL2787232 0.80 ITGB1 (0.47) PPARG
SCHEMBL2787228 0.80 ITGB1 (0.47) PPARG
SCHEMBL4153373 0.79 PPARG (0.69) PPARG

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
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 — — US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 — — US disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 — — US disclosed
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