SCHEMBL25997626

SCHEMBL25997626

CC(C)NC(CNC(=O)C1=C/C=C\C=C/C=C\1)C(=O)N(CCCC(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23453249 0.91 CCKBR (0.31) CCKBRTDP1LMNAHSD17B10
SCHEMBL26385373 0.90 CCKBR (0.33) CCKBRTDP1LMNAHSD17B10
SCHEMBL23419154 0.89 CCKBR (0.30) CCKBR
SCHEMBL25997230 0.77 CCKBR (0.37) CCKBRTDP1LMNAHSD17B10
SCHEMBL26383895 0.76 CCKBR (0.31) CCKBR
SCHEMBL23419617 0.73 ITGAV (0.33) HSD17B10
SCHEMBL24541122 0.66 FOLH1 (0.41) —
SCHEMBL23453248 0.65 LTA4H (0.33) —
SCHEMBL24529726 0.65 CASR (0.35) HSD17B10
SCHEMBL25997245 0.65 KDM4E (0.32) HSD17B10

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
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
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