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SCHEMBL16601591

SCHEMBL16601591

CNC(Cc1ccccc1)C(=O)OCCCCOC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NC(=O)CCC(=O)NC(Cc1ccccc1)C(=O)OCCCCOC(=O)C(Cc1ccccc1)NC(=O)CCC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTRA2 O43464 8/20 0.59
▸ HTRA1 Q92743 8/20 0.59
▸ ALB P02768 2/20 0.55
▸ FOLH1 Q04609 2/20 0.53
▸ ESR1 P03372 1/20 0.46
▸ SLC5A2 P31639 2/20 0.45
▸ WDR5 P61964 1/20 0.44

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
SCHEMBL14932612 0.81 HTRA2 (0.67) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL14932621 0.78 HTRA2 (0.65) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL16234096 0.78 HTRA2 (0.65) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL20235786 0.78 HTRA2 (0.64) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL6368267 0.78 HTRA2 (0.37) HTRA2HTRA1ALB
SCHEMBL21128744 0.77 HTRA2 (0.58) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL20235785 0.77 HTRA2 (0.60) HTRA2HTRA1ALBFOLH1SLC5A2
SCHEMBL27267473 0.76 FOLH1 (0.65) HTRA2HTRA1ALBFOLH1ESR1
SCHEMBL27267500 0.76 FOLH1 (0.66) HTRA2HTRA1ALBFOLH1ESR1
SCHEMBL21128731 0.76 HTRA2 (0.54) HTRA2HTRA1ALBFOLH1WDR5

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
US-8993686-B2 Multiamino acid-based poly(ester amide)s CORNELL UNIVERSITY (US) 2015-03-31 — — US disclosed