SCHEMBL29355656

SCHEMBL29355656

COC(=O)c1ccc2c(c1)c(C(C)=O)nn2CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 7/20 0.42
CPT1A P50416 2/20 0.41
CPT1B Q92523 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ELANE P08246 1/20 0.40
TSHR P16473 2/20 0.40
FGFR1 P11362 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL19208827 1.00 CFD (0.42) CFDCPT1ACPT1BKDM4EELANE
SCHEMBL25925405 0.91 CFD (0.42) CFDKDM4EELANETSHRFGFR1
SCHEMBL12480012 0.90 CFD (0.48) CFDKDM4EELANETSHRPTGDR2
SCHEMBL29781834 0.89 CFD (0.51) CFDCPT1ACPT1BKDM4EELANE
SCHEMBL17023541 0.89 CFD (0.51) CFDCPT1ACPT1BKDM4EELANE
SCHEMBL29781548 0.85 CFD (0.39) CFDKDM4ELMNAALDH1A1MAPT
SCHEMBL19208518 0.85 CFD (0.39) CFDKDM4ELMNAALDH1A1MAPT
SCHEMBL18578337 0.81 CFD (0.46) CFD
SCHEMBL29545123 0.81 CFD (0.46) CFD
SCHEMBL18549496 0.80 CFD (0.47) CFDELANEHSD17B10LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 CN disclosed
EP-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 EP disclosed