SCHEMBL13969976

SCHEMBL13969976

O=CC[C@H](NC(=O)CSCCC(=O)ON1C(=O)CCC1=O)C(=O)NCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.50
▸ ALB P02768 2/20 0.47
▸ HTRA2 O43464 6/20 0.42
▸ HTRA1 Q92743 6/20 0.42
▸ CA9 Q16790 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC5A2 P31639 2/20 0.41

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
SCHEMBL13678656 0.94 FOLH1 (0.53) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL9906258 0.93 FOLH1 (0.52) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL13678635 0.92 FOLH1 (0.51) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL1688099 0.91 FOLH1 (0.51) FOLH1ALBCA9ESR1USP2
SCHEMBL9906256 0.91 FOLH1 (0.57) FOLH1ALBHTRA2HTRA1ESR1
SCHEMBL13678631 0.89 FOLH1 (0.48) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL9906325 0.89 FOLH1 (0.54) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL9906321 0.88 FOLH1 (0.55) FOLH1ALBHTRA2HTRA1CA9
SCHEMBL9906326 0.87 FOLH1 (0.56) FOLH1ALBCA9ESR1USP2
SCHEMBL9906226 0.87 ALB (0.49) FOLH1ALBHTRA2HTRA1CA9

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-20090011432-A1 Detecting and Profiling Molecular Complexes MONOGRAM BIOSCIENCES, INC. (US) 2009-01-08 — — US disclosed
US-7402397-B2 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. (US) 2008-07-22 — — US disclosed
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