SCHEMBL25757058

SCHEMBL25757058

COC(=O)CCc1c(C(C)NC(=O)OC(C)(C)C)[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
SRC P12931 3/20 0.54
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
CTSL P07711 2/20 0.41
TACR1 P25103 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SSTR3 P32745 1/20 0.38
REN P00797 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
SCHEMBL27905352 0.80 EGFR (0.58) EGFRSRCMTNR1AMTNR1BMAPT
SCHEMBL25757057 0.79 EGFR (0.63) EGFRSRCMTNR1AMTNR1BCHRNB2
SCHEMBL7355774 0.78 EGFR (0.60) EGFRSRCMAPT
SCHEMBL14220694 0.73 EGFR (0.57) EGFRSRCMTNR1AMTNR1B
SCHEMBL7127236 0.72 EGFR (0.71) EGFRSRCMAPT
SCHEMBL29224605 0.72 MTNR1A (0.50) MTNR1AMTNR1BCTSLCTSSCTSK
SCHEMBL26996502 0.72 MAPT (0.48) CTSLTACR1TP53MAPTCTSS
SCHEMBL27478799 0.71 EGFR (0.69) EGFRSRC
SCHEMBL29224727 0.71 CA2 (0.49) MTNR1AMTNR1BCTSSCTSK
SCHEMBL27761686 0.71 EGFR (0.64) EGFRSRCCHRNB2CHRNA7CHRNA4

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-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed