SCHEMBL23419681

SCHEMBL23419681

CCNC(CNC(=O)/C=C/C1=C/C=C\C=C\C=C/1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A19 Q695T7 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ GFPT1 Q06210 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
SCHEMBL23453253 0.87 HPGD (0.33) SMN1; SMN2HPGDLMNAMMP1MMP2
SCHEMBL23419431 0.85 SMN1; SMN2 (0.34) SMN1; SMN2HPGDALDH1A1LMNAMMP1
SCHEMBL26050490 0.84 HPGD (0.32) SMN1; SMN2HPGDLMNAMMP1MMP2
SCHEMBL27442074 0.83 HPGD (0.33) SMN1; SMN2HPGD
SCHEMBL23419310 0.79 GFPT1 (0.48) MMP1MMP2MMP9GFPT1
SCHEMBL23392471 0.79 GFPT1 (0.48) MMP1MMP2MMP9GFPT1
SCHEMBL24548543 0.75 MAPT (0.33) HPGD
SCHEMBL23392463 0.66 HCAR2 (0.40) HPGDALDH1A1LMNAMMP1MMP2
SCHEMBL24061949 0.66 CYP2D6 (0.48) SMN1; SMN2HPGDALDH1A1LMNAMMP1
SCHEMBL23392464 0.66 HCAR2 (0.40) HPGDALDH1A1LMNAMMP1MMP2

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-20210155983-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-27 — — US disclosed
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