SCHEMBL17802738

SCHEMBL17802738

NC(=O)Cc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc(NC[C@@H]3CCCO3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 16/20 0.52
▸ F11 P03951 13/20 0.52
▸ TPSB2 P20231 9/20 0.52
▸ KLKB1 P03952 5/20 0.52
▸ PLG P00747 2/20 0.52
▸ PLAU P00749 2/20 0.52
▸ F7 P08709 2/20 0.52
▸ CCR5 P51681 1/20 0.44
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F9 P00740 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC18A2 Q05940 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL17802752 1.00 CFD (0.52) CFDF11TPSB2KLKB1PLG
SCHEMBL17764488 0.93 CFD (0.61) CFDF11TPSB2KLKB1PLG
SCHEMBL16397447 0.93 CFD (0.61) CFDF11TPSB2KLKB1PLG
SCHEMBL17802740 0.92 HPGD (0.46) CFDF11TPSB2KLKB1PLG
SCHEMBL17802741 0.92 HPGD (0.46) CFDF11TPSB2KLKB1PLG
SCHEMBL17802687 0.87 CFD (0.57) CFDF11TPSB2KLKB1PLG
SCHEMBL17802689 0.87 CFD (0.57) CFDF11TPSB2KLKB1PLG
SCHEMBL17802623 0.87 CFD (0.58) CFDF11TPSB2KLKB1PLG
SCHEMBL16396574 0.82 CFD (0.56) CFDF11TPSB2KLKB1PLG
SCHEMBL16396576 0.82 CFD (0.56) CFDF11TPSB2KLKB1PLG

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
WO-2016088082-A1 AMIDOMETHYL-BIARYL DERIVATIVES COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-06-09 — — WO claimed
WO-2016088082-A1 AMIDOMETHYL-BIARYL DERIVATIVES COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2016-06-09 — — WO disclosed
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