SCHEMBL23217604

SCHEMBL23217604

CCOC(=O)Cc1ccccc1OCc1cc(-c2csc(C(N)CC)c2)c2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFD P00746 19/20 0.55
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
TPSB2 P20231 8/20 0.36
F11 P03951 7/20 0.36

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
SCHEMBL30009785 1.00 CFD (0.55) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL30010372 0.93 CFD (0.55) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL23217669 0.93 CFD (0.55) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL23217524 0.91 CFD (0.66) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL29672975 0.91 CFD (0.66) CFDPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL31026073 0.91 CFD (0.65) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL21437477 0.87 CFD (0.61) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL23217600 0.86 CFD (0.58) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL30010909 0.86 CFD (0.58) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL23217633 0.86 CFD (0.60) CFDTPSB2F11

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
CN-114555570-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-27 CN disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed