SCHEMBL17802740

SCHEMBL17802740

COC(=O)Cc1ccccc1OCc1cc(NCC2CCCO2)cc(-c2cccc(CC(N)=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CFD P00746 6/20 0.43
▸ F11 P03951 6/20 0.43
▸ TPSB2 P20231 4/20 0.43
▸ KLKB1 P03952 3/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17802741 1.00 HPGD (0.46) HPGDALDH1A1CFDF11TPSB2
SCHEMBL17802752 0.92 CFD (0.52) HPGDCFDF11TPSB2KLKB1
SCHEMBL17802738 0.92 CFD (0.52) HPGDCFDF11TPSB2KLKB1
SCHEMBL16397447 0.85 CFD (0.61) CFDF11TPSB2KLKB1PLG
SCHEMBL17764488 0.85 CFD (0.61) CFDF11TPSB2KLKB1PLG
SCHEMBL17802689 0.80 CFD (0.57) HPGDALDH1A1CFDF11TPSB2
SCHEMBL17802687 0.80 CFD (0.57) HPGDALDH1A1CFDF11TPSB2
SCHEMBL17802623 0.79 CFD (0.58) CFDF11TPSB2KLKB1PLG
SCHEMBL17802711 0.77 CFD (0.52) CFDF11TPSB2KLKB1PLG
SCHEMBL16396576 0.76 CFD (0.56) HPGDCFDF11TPSB2KLKB1

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